15,19-bis(3-phenylphenyl)-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene

C158H98N6S3 — CID 162077771

IUPAC15,19-bis(3-phenylphenyl)-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c6c7c(ccc6n(-c6cccc(-c8ccccc8)c6)c5cc43)sc3ccccc37)c2)cc1.c1ccc(-n2c3cc4c(cc3c3c5c(ccc32)sc2ccccc25)c2ccccc2n4-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-n2c3cc4c(cc3c3c5c(ccc32)sc2ccccc25)c2ccccc2n4-c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/2C55H34N2S.C48H30N2S/c1-3-16-35(17-4-1)55(45-26-11-7-22-39(45)40-23-8-12-27-46(40)55)36-18-15-21-38(32-36)57-47-28-13-9-24-41(47)43-33-44-50(34-49(43)57)56(37-19-5-2-6-20-37)48-30-31-52-54(53(44)48)42-25-10-14-29-51(42)58-52;1-3-15-35(16-4-1)55(45-23-11-7-19-39(45)40-20-8-12-24-46(40)55)36-27-29-38(30-28-36)56-47-25-13-9-21-41(47)43-33-44-50(34-49(43)56)57(37-17-5-2-6-18-37)48-31-32-52-54(53(44)48)42-22-10-14-26-51(42)58-52;1-3-13-31(14-4-1)33-17-11-19-35(27-33)49-41-23-9-7-21-37(41)39-29-40-44(30-43(39)49)50(36-20-12-18-34(28-36)32-15-5-2-6-16-32)42-25-26-46-48(47(40)42)38-22-8-10-24-45(38)51-46/h2*1-34H;1-30H
InChIKeyZBXWUSCSGSFKGI-UHFFFAOYSA-N
MW2176.76 g/mol
LogP42.81
Rot. Bonds12

About 15,19-bis(3-phenylphenyl)-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene

15,19-bis(3-phenylphenyl)-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene (PubChem CID 162077771) has the molecular formula C158H98N6S3 and a molecular weight of 2176.76 g/mol. Its IUPAC name is 15,19-bis(3-phenylphenyl)-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene.

Molecular Properties

Compound Name15,19-bis(3-phenylphenyl)-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
PubChem CID162077771
Molecular FormulaC158H98N6S3
Molecular Weight2176.76 g/mol
Exact Mass2174.70
IUPAC Name15,19-bis(3-phenylphenyl)-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c6c7c(ccc6n(-c6cccc(-c8ccccc8)c6)c5cc43)sc3ccccc37)c2)cc1.c1ccc(-n2c3cc4c(cc3c3c5c(ccc32)sc2ccccc25)c2ccccc2n4-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-n2c3cc4c(cc3c3c5c(ccc32)sc2ccccc25)c2ccccc2n4-c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/2C55H34N2S.C48H30N2S/c1-3-16-35(17-4-1)55(45-26-11-7-22-39(45)40-23-8-12-27-46(40)55)36-18-15-21-38(32-36)57-47-28-13-9-24-41(47)43-33-44-50(34-49(43)57)56(37-19-5-2-6-20-37)48-30-31-52-54(53(44)48)42-25-10-14-29-51(42)58-52;1-3-15-35(16-4-1)55(45-23-11-7-19-39(45)40-20-8-12-24-46(40)55)36-27-29-38(30-28-36)56-47-25-13-9-21-41(47)43-33-44-50(34-49(43)56)57(37-17-5-2-6-18-37)48-31-32-52-54(53(44)48)42-22-10-14-26-51(42)58-52;1-3-13-31(14-4-1)33-17-11-19-35(27-33)49-41-23-9-7-21-37(41)39-29-40-44(30-43(39)49)50(36-20-12-18-34(28-36)32-15-5-2-6-16-32)42-25-26-46-48(47(40)42)38-22-8-10-24-45(38)51-46/h2*1-34H;1-30H
InChIKeyZBXWUSCSGSFKGI-UHFFFAOYSA-N
XLogP42.81
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002176.76
LogP ≤ 542.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 15,19-bis(3-phenylphenyl)-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene with MolForge

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Related Compounds

15,19-bis(3-phenylphenyl)-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 161144131
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590519
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 154590619
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[4-[3-[9-[3-(4-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590364
3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590406
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 154590784
9-(4-dibenzothiophen-1-ylphenyl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961071
N-dibenzothiophen-1-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167214656
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 160904647

Frequently Asked Questions

What is the IUPAC name of 15,19-bis(3-phenylphenyl)-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene?
The IUPAC name of 15,19-bis(3-phenylphenyl)-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene (CID 162077771) is 15,19-bis(3-phenylphenyl)-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene.
What is the SMILES notation for 15,19-bis(3-phenylphenyl)-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene?
The canonical SMILES for 15,19-bis(3-phenylphenyl)-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene is c1ccc(-c2cccc(-n3c4ccccc4c4cc5c6c7c(ccc6n(-c6cccc(-c8ccccc8)c6)c5cc43)sc3ccccc37)c2)cc1.c1ccc(-n2c3cc4c(cc3c3c5c(ccc32)sc2ccccc25)c2ccccc2n4-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-n2c3cc4c(cc3c3c5c(ccc32)sc2ccccc25)c2ccccc2n4-c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of 15,19-bis(3-phenylphenyl)-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene?
The InChIKey is ZBXWUSCSGSFKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H34N2S.C48H30N2S/c1-3-16-35(17-4-1)55(45-26-11-7-22-39(45)40-23-8-12-27-46(40)55)36-18-15-21-38(32-36)57-47-28-13-9-24-41(47)43-33-44-50(34-49(43)57)56(37-19-5-2-6-20-37)48-30-31-52-54(53(44)48)42-25-10-14-29-51(42)58-52;1-3-15-35(16-4-1)55(45-23-11-7-19-39(45)40-20-8-12-24-46(40)55)36-27-29-38(30-28-36)56-47-25-13-9-21-41(47)43-33-44-50(34-49(43)56)57(37-17-5-2-6-18-37)48-31-32-52-54(53(44)48)42-22-10-14-26-51(42)58-52;1-3-13-31(14-4-1)33-17-11-19-35(27-33)49-41-23-9-7-21-37(41)39-29-40-44(30-43(39)49)50(36-20-12-18-34(28-36)32-15-5-2-6-16-32)42-25-26-46-48(47(40)42)38-22-8-10-24-45(38)51-46/h2*1-34H;1-30H.
What are the key properties of 15,19-bis(3-phenylphenyl)-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene?
15,19-bis(3-phenylphenyl)-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene has a molecular weight of 2176.76 g/mol, XLogP of 42.81, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 15,19-bis(3-phenylphenyl)-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-10-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 162077771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).