9-[4-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)phenyl]carbazole

C42H33NS — CID 163436082

IUPAC9-[4-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)phenyl]carbazole
SMILESCC1(C)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2c(ccc3sc4ccccc4c23)C1(C)C
InChIInChI=1S/C42H33NS/c1-41(2)33-23-24-38-40(32-13-7-10-16-37(32)44-38)39(33)31-22-19-27(25-34(31)42(41,3)4)26-17-20-28(21-18-26)43-35-14-8-5-11-29(35)30-12-6-9-15-36(30)43/h5-25H,1-4H3
InChIKeyPUJRFLHVRVBJND-UHFFFAOYSA-N
MW583.80 g/mol
LogP12.05
Rot. Bonds2

About 9-[4-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)phenyl]carbazole

9-[4-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)phenyl]carbazole (PubChem CID 163436082) has the molecular formula C42H33NS and a molecular weight of 583.80 g/mol. Its IUPAC name is 9-[4-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)phenyl]carbazole
PubChem CID163436082
Molecular FormulaC42H33NS
Molecular Weight583.80 g/mol
Exact Mass583.23
IUPAC Name9-[4-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)phenyl]carbazole
SMILESCC1(C)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2c(ccc3sc4ccccc4c23)C1(C)C
InChIInChI=1S/C42H33NS/c1-41(2)33-23-24-38-40(32-13-7-10-16-37(32)44-38)39(33)31-22-19-27(25-34(31)42(41,3)4)26-17-20-28(21-18-26)43-35-14-8-5-11-29(35)30-12-6-9-15-36(30)43/h5-25H,1-4H3
InChIKeyPUJRFLHVRVBJND-UHFFFAOYSA-N
XLogP12.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.80
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[4-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)phenyl]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-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole
CID 118098886
14,14,15,15-tetramethyl-N,N-diphenyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;9-[4-(12,12,13,13-tetramethylphenanthro[1,2-b][1]benzothiol-8-yl)phenyl]carbazole;9-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)carbazole
CID 163424763
3-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-9-yl)-9-phenylcarbazole
CID 118099081
3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118099001
2,4-diphenyl-6-[3-(20,20,21,21-tetramethyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-16-yl)phenyl]-1,3,5-triazine;N-phenyl-N-(14,14,15,15-tetramethyl-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16(21),17,19-nonaen-18-yl)dibenzofuran-3-amine;14,14,15,15-tetramethyl-N,N-diphenyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-amine;9-[4-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)phenyl]carbazole
CID 163436080
9-[4-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)phenyl]-3,6-diphenylcarbazole;9-[4-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)phenyl]-3,6-diphenylcarbazole;9-[4-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)phenyl]-3,6-diphenylcarbazole;9-[4-(14,14-dimethyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)phenyl]-3,6-diphenylcarbazole
CID 161365898
14-[4-[4-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167193582
9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
CID 167639510
3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole
CID 174371073
14-[4-[4-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167193395
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
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

Frequently Asked Questions

What is the IUPAC name of 9-[4-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)phenyl]carbazole (CID 163436082) is 9-[4-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)phenyl]carbazole is CC1(C)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2c(ccc3sc4ccccc4c23)C1(C)C.
What is the InChIKey of 9-[4-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)phenyl]carbazole?
The InChIKey is PUJRFLHVRVBJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33NS/c1-41(2)33-23-24-38-40(32-13-7-10-16-37(32)44-38)39(33)31-22-19-27(25-34(31)42(41,3)4)26-17-20-28(21-18-26)43-35-14-8-5-11-29(35)30-12-6-9-15-36(30)43/h5-25H,1-4H3.
What are the key properties of 9-[4-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)phenyl]carbazole?
9-[4-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)phenyl]carbazole has a molecular weight of 583.80 g/mol, XLogP of 12.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaen-18-yl)phenyl]carbazole is sourced from PubChem (CID 163436082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).