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]

C187H113N11S4 — CID 161259778

IUPAC13'-(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]
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)Sc3ccccc3C53c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)Sc3ccccc3C53c4ccccc4-c4ccccc43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(c43)Sc3ccccc3C53c4ccccc4-c4ccccc43)nc3ccccc23)cc1.c1ccc2c(c1)Sc1c(ccc3c4ccccc4n(-c4nc(-c5ccc6ccccc6c5)c5ccccc5n4)c13)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C49H29N3S.C47H29N3S.C46H28N2S.C45H27N3S/c1-2-14-31-29-32(26-25-30(31)13-1)45-37-18-5-10-22-42(37)50-48(51-45)52-43-23-11-6-17-35(43)36-27-28-41-47(46(36)52)53-44-24-12-9-21-40(44)49(41)38-19-7-3-15-33(38)34-16-4-8-20-39(34)49;1-3-15-30(16-4-1)40-29-43(49-46(48-40)31-17-5-2-6-18-31)50-41-25-13-9-21-34(41)35-27-28-39-45(44(35)50)51-42-26-14-12-24-38(42)47(39)36-22-10-7-19-32(36)33-20-8-11-23-37(33)47;1-2-14-29(15-3-1)35-28-43(47-40-23-11-6-18-32(35)40)48-41-24-12-7-19-33(41)34-26-27-39-45(44(34)48)49-42-25-13-10-22-38(42)46(39)36-20-8-4-16-30(36)31-17-5-9-21-37(31)46;1-2-14-28(15-3-1)41-33-19-6-11-23-38(33)46-44(47-41)48-39-24-12-7-18-31(39)32-26-27-37-43(42(32)48)49-40-25-13-10-22-36(40)45(37)34-20-8-4-16-29(34)30-17-5-9-21-35(30)45/h1-29H;1-29H;1-28H;1-27H
InChIKeyVCJZQTGKGVQLNQ-UHFFFAOYSA-N
MW2642.31 g/mol
LogP47.16
Rot. Bonds9

About 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]

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] (PubChem CID 161259778) has the molecular formula C187H113N11S4 and a molecular weight of 2642.31 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name13'-(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]
PubChem CID161259778
Molecular FormulaC187H113N11S4
Molecular Weight2642.31 g/mol
Exact Mass2639.81
IUPAC Name13'-(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]
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)Sc3ccccc3C53c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)Sc3ccccc3C53c4ccccc4-c4ccccc43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(c43)Sc3ccccc3C53c4ccccc4-c4ccccc43)nc3ccccc23)cc1.c1ccc2c(c1)Sc1c(ccc3c4ccccc4n(-c4nc(-c5ccc6ccccc6c5)c5ccccc5n4)c13)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C49H29N3S.C47H29N3S.C46H28N2S.C45H27N3S/c1-2-14-31-29-32(26-25-30(31)13-1)45-37-18-5-10-22-42(37)50-48(51-45)52-43-23-11-6-17-35(43)36-27-28-41-47(46(36)52)53-44-24-12-9-21-40(44)49(41)38-19-7-3-15-33(38)34-16-4-8-20-39(34)49;1-3-15-30(16-4-1)40-29-43(49-46(48-40)31-17-5-2-6-18-31)50-41-25-13-9-21-34(41)35-27-28-39-45(44(35)50)51-42-26-14-12-24-38(42)47(39)36-22-10-7-19-32(36)33-20-8-11-23-37(33)47;1-2-14-29(15-3-1)35-28-43(47-40-23-11-6-18-32(35)40)48-41-24-12-7-19-33(41)34-26-27-39-45(44(34)48)49-42-25-13-10-22-38(42)46(39)36-20-8-4-16-30(36)31-17-5-9-21-37(31)46;1-2-14-28(15-3-1)41-33-19-6-11-23-38(33)46-44(47-41)48-39-24-12-7-18-31(39)32-26-27-37-43(42(32)48)49-40-25-13-10-22-36(40)45(37)34-20-8-4-16-29(34)30-17-5-9-21-35(30)45/h1-29H;1-29H;1-28H;1-27H
InChIKeyVCJZQTGKGVQLNQ-UHFFFAOYSA-N
XLogP47.16
TPSA109.95 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002642.31
LogP ≤ 547.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
13-(2,6-diphenylpyrimidin-4-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]
CID 159462825
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
CID 158568558
CID 158568558
CID 162258827
CID 162258827
4-(2,6-diphenylpyrimidin-4-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenylpyrimidin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-naphthalen-2-yl-26-(4-phenylquinazolin-2-yl)-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 162026045
6'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine]
CID 162694359
13'-(4,6-diphenyl-2-pyridinyl)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 134351552
CID 146184561
CID 146184561
6'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine]
CID 148808351
25-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-fluorophenyl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene];25-phenylspiro[11-thia-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-4,9'-fluorene]
CID 158443179
4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)quinazoline
CID 139306466

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)Sc3ccccc3C53c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)Sc3ccccc3C53c4ccccc4-c4ccccc43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(c43)Sc3ccccc3C53c4ccccc4-c4ccccc43)nc3ccccc23)cc1.c1ccc2c(c1)Sc1c(ccc3c4ccccc4n(-c4nc(-c5ccc6ccccc6c5)c5ccccc5n4)c13)C21c2ccccc2-c2ccccc21.
What is the InChIKey of 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]?
The InChIKey is VCJZQTGKGVQLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3S.C47H29N3S.C46H28N2S.C45H27N3S/c1-2-14-31-29-32(26-25-30(31)13-1)45-37-18-5-10-22-42(37)50-48(51-45)52-43-23-11-6-17-35(43)36-27-28-41-47(46(36)52)53-44-24-12-9-21-40(44)49(41)38-19-7-3-15-33(38)34-16-4-8-20-39(34)49;1-3-15-30(16-4-1)40-29-43(49-46(48-40)31-17-5-2-6-18-31)50-41-25-13-9-21-34(41)35-27-28-39-45(44(35)50)51-42-26-14-12-24-38(42)47(39)36-22-10-7-19-32(36)33-20-8-11-23-37(33)47;1-2-14-29(15-3-1)35-28-43(47-40-23-11-6-18-32(35)40)48-41-24-12-7-19-33(41)34-26-27-39-45(44(34)48)49-42-25-13-10-22-38(42)46(39)36-20-8-4-16-30(36)31-17-5-9-21-37(31)46;1-2-14-28(15-3-1)41-33-19-6-11-23-38(33)46-44(47-41)48-39-24-12-7-18-31(39)32-26-27-37-43(42(32)48)49-40-25-13-10-22-36(40)45(37)34-20-8-4-16-29(34)30-17-5-9-21-35(30)45/h1-29H;1-29H;1-28H;1-27H.
What are the key properties of 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]?
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] has a molecular weight of 2642.31 g/mol, XLogP of 47.16, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 161259778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).