5-(3-dibenzothiophen-4-ylphenyl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-5-(3-phenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-phenyl-5-(9-phenylcarbazol-3-yl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

C126H79N7S2 — CID 158120913

IUPAC5-(3-dibenzothiophen-4-ylphenyl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-5-(3-phenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-phenyl-5-(9-phenylcarbazol-3-yl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3N5c3cccc4c3sc3ccccc34)c2)cc1.c1ccc(N2c3ccccc3-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cccc2c43)cc1.c1ccc(N2c3ccccc3-n3c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4c4cccc2c43)cc1
InChIInChI=1S/C42H27N3.2C42H26N2S/c1-3-12-30(13-4-1)43-36-18-8-7-16-32(36)34-26-28(22-24-37(34)43)29-23-25-38-35(27-29)33-17-11-21-41-42(33)45(38)40-20-10-9-19-39(40)44(41)31-14-5-2-6-15-31;1-2-13-30(14-3-1)43-37-19-5-6-20-38(37)44-36-24-23-28(26-35(36)33-17-10-21-39(43)41(33)44)27-11-8-12-29(25-27)31-16-9-18-34-32-15-4-7-22-40(32)45-42(31)34;1-2-11-27(12-3-1)28-13-8-14-29(25-28)30-23-24-35-34(26-30)32-16-9-20-38-41(32)44(35)37-19-6-5-18-36(37)43(38)39-21-10-17-33-31-15-4-7-22-40(31)45-42(33)39/h1-27H;2*1-26H
InChIKeyFRPBHWCXGKRYSG-UHFFFAOYSA-N
MW1755.20 g/mol
LogP35.87
Rot. Bonds9

About 5-(3-dibenzothiophen-4-ylphenyl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-5-(3-phenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-phenyl-5-(9-phenylcarbazol-3-yl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

5-(3-dibenzothiophen-4-ylphenyl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-5-(3-phenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-phenyl-5-(9-phenylcarbazol-3-yl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (PubChem CID 158120913) has the molecular formula C126H79N7S2 and a molecular weight of 1755.20 g/mol. Its IUPAC name is 5-(3-dibenzothiophen-4-ylphenyl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-5-(3-phenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-phenyl-5-(9-phenylcarbazol-3-yl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name5-(3-dibenzothiophen-4-ylphenyl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-5-(3-phenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-phenyl-5-(9-phenylcarbazol-3-yl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
PubChem CID158120913
Molecular FormulaC126H79N7S2
Molecular Weight1755.20 g/mol
Exact Mass1753.58
IUPAC Name5-(3-dibenzothiophen-4-ylphenyl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-5-(3-phenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-phenyl-5-(9-phenylcarbazol-3-yl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3N5c3cccc4c3sc3ccccc34)c2)cc1.c1ccc(N2c3ccccc3-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cccc2c43)cc1.c1ccc(N2c3ccccc3-n3c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4c4cccc2c43)cc1
InChIInChI=1S/C42H27N3.2C42H26N2S/c1-3-12-30(13-4-1)43-36-18-8-7-16-32(36)34-26-28(22-24-37(34)43)29-23-25-38-35(27-29)33-17-11-21-41-42(33)45(38)40-20-10-9-19-39(40)44(41)31-14-5-2-6-15-31;1-2-13-30(14-3-1)43-37-19-5-6-20-38(37)44-36-24-23-28(26-35(36)33-17-10-21-39(43)41(33)44)27-11-8-12-29(25-27)31-16-9-18-34-32-15-4-7-22-40(32)45-42(31)34;1-2-11-27(12-3-1)28-13-8-14-29(25-28)30-23-24-35-34(26-30)32-16-9-20-38-41(32)44(35)37-19-6-5-18-36(37)43(38)39-21-10-17-33-31-15-4-7-22-40(31)45-42(33)39/h1-27H;2*1-26H
InChIKeyFRPBHWCXGKRYSG-UHFFFAOYSA-N
XLogP35.87
TPSA29.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001755.20
LogP ≤ 535.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-(3-dibenzothiophen-4-ylphenyl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-5-(3-phenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-phenyl-5-(9-phenylcarbazol-3-yl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene 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

3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 139319601
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
10-(3-dibenzofuran-4-ylphenyl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-10-(3-naphthalen-1-ylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;10-dibenzothiophen-4-yl-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-10-(3-phenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 159355958
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121323828
9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492215
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159995207

Frequently Asked Questions

What is the IUPAC name of 5-(3-dibenzothiophen-4-ylphenyl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-5-(3-phenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-phenyl-5-(9-phenylcarbazol-3-yl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 5-(3-dibenzothiophen-4-ylphenyl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-5-(3-phenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-phenyl-5-(9-phenylcarbazol-3-yl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (CID 158120913) is 5-(3-dibenzothiophen-4-ylphenyl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-5-(3-phenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-phenyl-5-(9-phenylcarbazol-3-yl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 5-(3-dibenzothiophen-4-ylphenyl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-5-(3-phenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-phenyl-5-(9-phenylcarbazol-3-yl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 5-(3-dibenzothiophen-4-ylphenyl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-5-(3-phenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-phenyl-5-(9-phenylcarbazol-3-yl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is c1ccc(-c2cccc(-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3N5c3cccc4c3sc3ccccc34)c2)cc1.c1ccc(N2c3ccccc3-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cccc2c43)cc1.c1ccc(N2c3ccccc3-n3c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4c4cccc2c43)cc1.
What is the InChIKey of 5-(3-dibenzothiophen-4-ylphenyl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-5-(3-phenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-phenyl-5-(9-phenylcarbazol-3-yl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The InChIKey is FRPBHWCXGKRYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3.2C42H26N2S/c1-3-12-30(13-4-1)43-36-18-8-7-16-32(36)34-26-28(22-24-37(34)43)29-23-25-38-35(27-29)33-17-11-21-41-42(33)45(38)40-20-10-9-19-39(40)44(41)31-14-5-2-6-15-31;1-2-13-30(14-3-1)43-37-19-5-6-20-38(37)44-36-24-23-28(26-35(36)33-17-10-21-39(43)41(33)44)27-11-8-12-29(25-27)31-16-9-18-34-32-15-4-7-22-40(32)45-42(31)34;1-2-11-27(12-3-1)28-13-8-14-29(25-28)30-23-24-35-34(26-30)32-16-9-20-38-41(32)44(35)37-19-6-5-18-36(37)43(38)39-21-10-17-33-31-15-4-7-22-40(31)45-42(33)39/h1-27H;2*1-26H.
What are the key properties of 5-(3-dibenzothiophen-4-ylphenyl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-5-(3-phenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-phenyl-5-(9-phenylcarbazol-3-yl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
5-(3-dibenzothiophen-4-ylphenyl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-5-(3-phenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-phenyl-5-(9-phenylcarbazol-3-yl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene has a molecular weight of 1755.20 g/mol, XLogP of 35.87, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-dibenzothiophen-4-ylphenyl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-dibenzothiophen-4-yl-5-(3-phenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;13-phenyl-5-(9-phenylcarbazol-3-yl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 158120913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).