25-(4-methylphenyl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-naphthalen-2-ylquinazolin-2-yl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]

C185H112N6S4 — CID 162113462

IUPAC25-(4-methylphenyl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-naphthalen-2-ylquinazolin-2-yl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]
SMILESCc1ccc(-n2c3c4c(ccc3c3ccc5ccccc5c32)C2(c3ccccc3S4)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)Sc1c(ccc3c4ccc5ccccc5c4n(-c4ccc5ccccc5c4)c13)C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1c(ccc3c4ccc5ccccc5c4n(-c4cccc5ccccc45)c13)C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1c(ccc3c4ccc5ccccc5c4n(-c4nc(-c5ccc6ccccc6c5)c5ccccc5n4)c13)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C53H31N3S.2C45H27NS.C42H27NS/c1-2-15-34-31-35(26-25-32(34)13-1)48-41-19-7-11-23-46(41)54-52(55-48)56-49-36-16-4-3-14-33(36)27-28-39(49)40-29-30-45-51(50(40)56)57-47-24-12-10-22-44(47)53(45)42-20-8-5-17-37(42)38-18-6-9-21-43(38)53;1-3-15-30-28(12-1)14-11-22-40(30)46-42-31-16-4-2-13-29(31)24-25-34(42)35-26-27-39-44(43(35)46)47-41-23-10-9-21-38(41)45(39)36-19-7-5-17-32(36)33-18-6-8-20-37(33)45;1-2-13-30-27-31(23-21-28(30)11-1)46-42-32-14-4-3-12-29(32)22-24-35(42)36-25-26-40-44(43(36)46)47-41-20-10-9-19-39(41)45(40)37-17-7-5-15-33(37)34-16-6-8-18-38(34)45;1-26-18-21-28(22-19-26)43-39-29-11-3-2-10-27(29)20-23-32(39)33-24-25-37-41(40(33)43)44-38-17-9-8-16-36(38)42(37)34-14-6-4-12-30(34)31-13-5-7-15-35(31)42/h1-31H;2*1-27H;2-25H,1H3
InChIKeyZGLMXKVXQDLXPD-UHFFFAOYSA-N
MW2547.24 g/mol
LogP48.44
Rot. Bonds5

About 25-(4-methylphenyl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-naphthalen-2-ylquinazolin-2-yl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]

25-(4-methylphenyl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-naphthalen-2-ylquinazolin-2-yl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] (PubChem CID 162113462) has the molecular formula C185H112N6S4 and a molecular weight of 2547.24 g/mol. Its IUPAC name is 25-(4-methylphenyl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-naphthalen-2-ylquinazolin-2-yl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene].

Molecular Properties

Compound Name25-(4-methylphenyl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-naphthalen-2-ylquinazolin-2-yl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]
PubChem CID162113462
Molecular FormulaC185H112N6S4
Molecular Weight2547.24 g/mol
Exact Mass2544.78
IUPAC Name25-(4-methylphenyl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-naphthalen-2-ylquinazolin-2-yl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]
SMILESCc1ccc(-n2c3c4c(ccc3c3ccc5ccccc5c32)C2(c3ccccc3S4)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)Sc1c(ccc3c4ccc5ccccc5c4n(-c4ccc5ccccc5c4)c13)C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1c(ccc3c4ccc5ccccc5c4n(-c4cccc5ccccc45)c13)C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1c(ccc3c4ccc5ccccc5c4n(-c4nc(-c5ccc6ccccc6c5)c5ccccc5n4)c13)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C53H31N3S.2C45H27NS.C42H27NS/c1-2-15-34-31-35(26-25-32(34)13-1)48-41-19-7-11-23-46(41)54-52(55-48)56-49-36-16-4-3-14-33(36)27-28-39(49)40-29-30-45-51(50(40)56)57-47-24-12-10-22-44(47)53(45)42-20-8-5-17-37(42)38-18-6-9-21-43(38)53;1-3-15-30-28(12-1)14-11-22-40(30)46-42-31-16-4-2-13-29(31)24-25-34(42)35-26-27-39-44(43(35)46)47-41-23-10-9-21-38(41)45(39)36-19-7-5-17-32(36)33-18-6-8-20-37(33)45;1-2-13-30-27-31(23-21-28(30)11-1)46-42-32-14-4-3-12-29(32)22-24-35(42)36-25-26-40-44(43(36)46)47-41-20-10-9-19-39(41)45(40)37-17-7-5-15-33(37)34-16-6-8-18-38(34)45;1-26-18-21-28(22-19-26)43-39-29-11-3-2-10-27(29)20-23-32(39)33-24-25-37-41(40(33)43)44-38-17-9-8-16-36(38)42(37)34-14-6-4-12-30(34)31-13-5-7-15-35(31)42/h1-31H;2*1-27H;2-25H,1H3
InChIKeyZGLMXKVXQDLXPD-UHFFFAOYSA-N
XLogP48.44
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms195
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002547.24
LogP ≤ 548.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 25-(4-methylphenyl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-naphthalen-2-ylquinazolin-2-yl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] with MolForge

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Related Compounds

13'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,7'-thiochromeno[2,3-a]carbazole];13'-(4-naphthalen-2-ylquinazolin-2-yl)spiro[fluorene-9,7'-thiochromeno[2,3-a]carbazole];13'-(4-phenylquinazolin-2-yl)spiro[fluorene-9,7'-thiochromeno[2,3-a]carbazole];13'-(4-phenylquinolin-2-yl)spiro[fluorene-9,7'-thiochromeno[2,3-a]carbazole]
CID 161259778
9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole
CID 155114360
25-[4-(4-phenylphenyl)quinazolin-2-yl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene
CID 145442096
25-(4-methylphenyl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-phenylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]
CID 161237417
2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 131979682
12-(4-phenylquinazolin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-thioxanthene]
CID 130289380
10'-(2,6-diphenylpyrimidin-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene];13'-(2,6-diphenylpyrimidin-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole];10'-(4-naphthalen-2-ylquinazolin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]
CID 159710630
21,21-dimethyl-13-(4-naphthalen-2-ylquinazolin-2-yl)-13-azaheptacyclo[14.11.1.02,14.03,12.06,11.020,28.022,27]octacosa-1(28),2(14),3(12),4,6,8,10,15,17,19,22,24,26-tridecaene
CID 134510099
9-[4-(4-spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine]-6'-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 149476876
15-[3-[11-(9,9-dimethylfluoren-3-yl)benzo[a]carbazol-8-yl]carbazol-9-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297880
10'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene];13'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole]
CID 157496637
9-benzo[a]carbazol-11-yl-5-[6-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146375533

Frequently Asked Questions

What is the IUPAC name of 25-(4-methylphenyl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-naphthalen-2-ylquinazolin-2-yl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]?
The IUPAC name of 25-(4-methylphenyl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-naphthalen-2-ylquinazolin-2-yl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] (CID 162113462) is 25-(4-methylphenyl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-naphthalen-2-ylquinazolin-2-yl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene].
What is the SMILES notation for 25-(4-methylphenyl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-naphthalen-2-ylquinazolin-2-yl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]?
The canonical SMILES for 25-(4-methylphenyl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-naphthalen-2-ylquinazolin-2-yl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] is Cc1ccc(-n2c3c4c(ccc3c3ccc5ccccc5c32)C2(c3ccccc3S4)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)Sc1c(ccc3c4ccc5ccccc5c4n(-c4ccc5ccccc5c4)c13)C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1c(ccc3c4ccc5ccccc5c4n(-c4cccc5ccccc45)c13)C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1c(ccc3c4ccc5ccccc5c4n(-c4nc(-c5ccc6ccccc6c5)c5ccccc5n4)c13)C21c2ccccc2-c2ccccc21.
What is the InChIKey of 25-(4-methylphenyl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-naphthalen-2-ylquinazolin-2-yl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]?
The InChIKey is ZGLMXKVXQDLXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3S.2C45H27NS.C42H27NS/c1-2-15-34-31-35(26-25-32(34)13-1)48-41-19-7-11-23-46(41)54-52(55-48)56-49-36-16-4-3-14-33(36)27-28-39(49)40-29-30-45-51(50(40)56)57-47-24-12-10-22-44(47)53(45)42-20-8-5-17-37(42)38-18-6-9-21-43(38)53;1-3-15-30-28(12-1)14-11-22-40(30)46-42-31-16-4-2-13-29(31)24-25-34(42)35-26-27-39-44(43(35)46)47-41-23-10-9-21-38(41)45(39)36-19-7-5-17-32(36)33-18-6-8-20-37(33)45;1-2-13-30-27-31(23-21-28(30)11-1)46-42-32-14-4-3-12-29(32)22-24-35(42)36-25-26-40-44(43(36)46)47-41-20-10-9-19-39(41)45(40)37-17-7-5-15-33(37)34-16-6-8-18-38(34)45;1-26-18-21-28(22-19-26)43-39-29-11-3-2-10-27(29)20-23-32(39)33-24-25-37-41(40(33)43)44-38-17-9-8-16-36(38)42(37)34-14-6-4-12-30(34)31-13-5-7-15-35(31)42/h1-31H;2*1-27H;2-25H,1H3.
What are the key properties of 25-(4-methylphenyl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-naphthalen-2-ylquinazolin-2-yl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]?
25-(4-methylphenyl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-naphthalen-2-ylquinazolin-2-yl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] has a molecular weight of 2547.24 g/mol, XLogP of 48.44, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 25-(4-methylphenyl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-naphthalen-2-ylquinazolin-2-yl)spiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-thia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] is sourced from PubChem (CID 162113462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).