9-[4-[1,6-bis(4-carbazol-9-ylphenyl)-2,3,7,8-tetraphenyldibenzothiophen-4-yl]phenyl]carbazole

C90H57N3S — CID 89419751

IUPAC9-[4-[1,6-bis(4-carbazol-9-ylphenyl)-2,3,7,8-tetraphenyldibenzothiophen-4-yl]phenyl]carbazole
SMILESc1ccc(-c2cc3c(sc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c43)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C90H57N3S/c1-5-25-58(26-6-1)74-57-75-88-85(62-45-51-65(52-46-62)91-76-39-19-13-33-68(76)69-34-14-20-40-77(69)91)83(60-29-9-3-10-30-60)84(61-31-11-4-12-32-61)87(64-49-55-67(56-50-64)93-80-43-23-17-37-72(80)73-38-18-24-44-81(73)93)90(88)94-89(75)86(82(74)59-27-7-2-8-28-59)63-47-53-66(54-48-63)92-78-41-21-15-35-70(78)71-36-16-22-42-79(71)92/h1-57H
InChIKeyUKOWXHWCPSMEKM-UHFFFAOYSA-N
MW1212.53 g/mol
LogP25.01
Rot. Bonds10

About 9-[4-[1,6-bis(4-carbazol-9-ylphenyl)-2,3,7,8-tetraphenyldibenzothiophen-4-yl]phenyl]carbazole

9-[4-[1,6-bis(4-carbazol-9-ylphenyl)-2,3,7,8-tetraphenyldibenzothiophen-4-yl]phenyl]carbazole (PubChem CID 89419751) has the molecular formula C90H57N3S and a molecular weight of 1212.53 g/mol. Its IUPAC name is 9-[4-[1,6-bis(4-carbazol-9-ylphenyl)-2,3,7,8-tetraphenyldibenzothiophen-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[1,6-bis(4-carbazol-9-ylphenyl)-2,3,7,8-tetraphenyldibenzothiophen-4-yl]phenyl]carbazole
PubChem CID89419751
Molecular FormulaC90H57N3S
Molecular Weight1212.53 g/mol
Exact Mass1211.43
IUPAC Name9-[4-[1,6-bis(4-carbazol-9-ylphenyl)-2,3,7,8-tetraphenyldibenzothiophen-4-yl]phenyl]carbazole
SMILESc1ccc(-c2cc3c(sc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c43)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C90H57N3S/c1-5-25-58(26-6-1)74-57-75-88-85(62-45-51-65(52-46-62)91-76-39-19-13-33-68(76)69-34-14-20-40-77(69)91)83(60-29-9-3-10-30-60)84(61-31-11-4-12-32-61)87(64-49-55-67(56-50-64)93-80-43-23-17-37-72(80)73-38-18-24-44-81(73)93)90(88)94-89(75)86(82(74)59-27-7-2-8-28-59)63-47-53-66(54-48-63)92-78-41-21-15-35-70(78)71-36-16-22-42-79(71)92/h1-57H
InChIKeyUKOWXHWCPSMEKM-UHFFFAOYSA-N
XLogP25.01
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001212.53
LogP ≤ 525.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[1,6-bis(4-carbazol-9-ylphenyl)-2,3,7,8-tetraphenyldibenzothiophen-4-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

methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 158753053
9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
CID 118595129
9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole
CID 175976686
9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole
CID 89408652
9-[4-(10-phenylanthracen-9-yl)phenyl]-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole
CID 87156483
7,12-diphenyl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole
CID 134530394
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,4,6-triphenylphenyl)phenyl]phenyl]carbazole
CID 58943784
3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
CID 152852425
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
9-[4-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-yl]carbazole;9-[4-[4-(4-carbazol-9-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]carbazole;9-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]phenyl]carbazole
CID 159108089
N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline
CID 176611462
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 58943802

Frequently Asked Questions

What is the IUPAC name of 9-[4-[1,6-bis(4-carbazol-9-ylphenyl)-2,3,7,8-tetraphenyldibenzothiophen-4-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[1,6-bis(4-carbazol-9-ylphenyl)-2,3,7,8-tetraphenyldibenzothiophen-4-yl]phenyl]carbazole (CID 89419751) is 9-[4-[1,6-bis(4-carbazol-9-ylphenyl)-2,3,7,8-tetraphenyldibenzothiophen-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[1,6-bis(4-carbazol-9-ylphenyl)-2,3,7,8-tetraphenyldibenzothiophen-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[1,6-bis(4-carbazol-9-ylphenyl)-2,3,7,8-tetraphenyldibenzothiophen-4-yl]phenyl]carbazole is c1ccc(-c2cc3c(sc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c43)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of 9-[4-[1,6-bis(4-carbazol-9-ylphenyl)-2,3,7,8-tetraphenyldibenzothiophen-4-yl]phenyl]carbazole?
The InChIKey is UKOWXHWCPSMEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H57N3S/c1-5-25-58(26-6-1)74-57-75-88-85(62-45-51-65(52-46-62)91-76-39-19-13-33-68(76)69-34-14-20-40-77(69)91)83(60-29-9-3-10-30-60)84(61-31-11-4-12-32-61)87(64-49-55-67(56-50-64)93-80-43-23-17-37-72(80)73-38-18-24-44-81(73)93)90(88)94-89(75)86(82(74)59-27-7-2-8-28-59)63-47-53-66(54-48-63)92-78-41-21-15-35-70(78)71-36-16-22-42-79(71)92/h1-57H.
What are the key properties of 9-[4-[1,6-bis(4-carbazol-9-ylphenyl)-2,3,7,8-tetraphenyldibenzothiophen-4-yl]phenyl]carbazole?
9-[4-[1,6-bis(4-carbazol-9-ylphenyl)-2,3,7,8-tetraphenyldibenzothiophen-4-yl]phenyl]carbazole has a molecular weight of 1212.53 g/mol, XLogP of 25.01, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1,6-bis(4-carbazol-9-ylphenyl)-2,3,7,8-tetraphenyldibenzothiophen-4-yl]phenyl]carbazole is sourced from PubChem (CID 89419751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).