9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole

C52H31NS — CID 134301089

IUPAC9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7sc8cc9c%10c(cccc%10c8c7c6)-c6ccccc6-9)ccc54)c3)cc2)cc1
InChIInChI=1S/C52H31NS/c1-2-10-32(11-3-1)33-20-22-34(23-21-33)35-12-8-13-38(28-35)53-47-19-7-6-16-41(47)44-29-36(24-26-48(44)53)37-25-27-49-46(30-37)52-43-18-9-17-42-39-14-4-5-15-40(39)45(51(42)43)31-50(52)54-49/h1-31H
InChIKeyRBZDDZVMBHCPID-UHFFFAOYSA-N
MW701.89 g/mol
LogP14.95
Rot. Bonds4

About 9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole

9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole (PubChem CID 134301089) has the molecular formula C52H31NS and a molecular weight of 701.89 g/mol. Its IUPAC name is 9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole.

Molecular Properties

Compound Name9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
PubChem CID134301089
Molecular FormulaC52H31NS
Molecular Weight701.89 g/mol
Exact Mass701.22
IUPAC Name9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7sc8cc9c%10c(cccc%10c8c7c6)-c6ccccc6-9)ccc54)c3)cc2)cc1
InChIInChI=1S/C52H31NS/c1-2-10-32(11-3-1)33-20-22-34(23-21-33)35-12-8-13-38(28-35)53-47-19-7-6-16-41(47)44-29-36(24-26-48(44)53)37-25-27-49-46(30-37)52-43-18-9-17-42-39-14-4-5-15-40(39)45(51(42)43)31-50(52)54-49/h1-31H
InChIKeyRBZDDZVMBHCPID-UHFFFAOYSA-N
XLogP14.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.89
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)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

9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
CID 134301090
3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 118488408
9-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134300978
5-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(3-phenylphenyl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134300976
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-(18-carbazol-9-yl-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-6,9-diphenylcarbazole
CID 59147343
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154
9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386007
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;ethane;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 144750087
3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole
CID 71291327
9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole;ethene
CID 142293102

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole?
The IUPAC name of 9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole (CID 134301089) is 9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole.
What is the SMILES notation for 9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole?
The canonical SMILES for 9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole is c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7sc8cc9c%10c(cccc%10c8c7c6)-c6ccccc6-9)ccc54)c3)cc2)cc1.
What is the InChIKey of 9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole?
The InChIKey is RBZDDZVMBHCPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31NS/c1-2-10-32(11-3-1)33-20-22-34(23-21-33)35-12-8-13-38(28-35)53-47-19-7-6-16-41(47)44-29-36(24-26-48(44)53)37-25-27-49-46(30-37)52-43-18-9-17-42-39-14-4-5-15-40(39)45(51(42)43)31-50(52)54-49/h1-31H.
What are the key properties of 9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole?
9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole has a molecular weight of 701.89 g/mol, XLogP of 14.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole is sourced from PubChem (CID 134301089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).