8-(3-pyridin-3-ylcarbazol-9-yl)-5-[3-[8-(3-pyridin-3-ylcarbazol-9-yl)pyrido[3,2-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indole

C64H38N8S — CID 90251082

IUPAC8-(3-pyridin-3-ylcarbazol-9-yl)-5-[3-[8-(3-pyridin-3-ylcarbazol-9-yl)pyrido[3,2-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indole
SMILESc1cncc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)c2cnccc2n3-c2ccc3scc(-n4c5ccc(-n6c7ccccc7c7cc(-c8cccnc8)ccc76)cc5c5ncccc54)c3c2)c1
InChIInChI=1S/C64H38N8S/c1-3-12-54-46(10-1)48-30-39(41-8-5-26-65-35-41)15-20-56(48)69(54)43-17-22-58-50(32-43)53-37-67-29-25-60(53)71(58)45-19-24-63-51(33-45)62(38-73-63)72-59-23-18-44(34-52(59)64-61(72)14-7-28-68-64)70-55-13-4-2-11-47(55)49-31-40(16-21-57(49)70)42-9-6-27-66-36-42/h1-38H
InChIKeyMQAMCAQPYSAIOH-UHFFFAOYSA-N
MW951.13 g/mol
LogP16.20
Rot. Bonds6

About 8-(3-pyridin-3-ylcarbazol-9-yl)-5-[3-[8-(3-pyridin-3-ylcarbazol-9-yl)pyrido[3,2-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indole

8-(3-pyridin-3-ylcarbazol-9-yl)-5-[3-[8-(3-pyridin-3-ylcarbazol-9-yl)pyrido[3,2-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indole (PubChem CID 90251082) has the molecular formula C64H38N8S and a molecular weight of 951.13 g/mol. Its IUPAC name is 8-(3-pyridin-3-ylcarbazol-9-yl)-5-[3-[8-(3-pyridin-3-ylcarbazol-9-yl)pyrido[3,2-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-(3-pyridin-3-ylcarbazol-9-yl)-5-[3-[8-(3-pyridin-3-ylcarbazol-9-yl)pyrido[3,2-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indole
PubChem CID90251082
Molecular FormulaC64H38N8S
Molecular Weight951.13 g/mol
Exact Mass950.29
IUPAC Name8-(3-pyridin-3-ylcarbazol-9-yl)-5-[3-[8-(3-pyridin-3-ylcarbazol-9-yl)pyrido[3,2-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indole
SMILESc1cncc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)c2cnccc2n3-c2ccc3scc(-n4c5ccc(-n6c7ccccc7c7cc(-c8cccnc8)ccc76)cc5c5ncccc54)c3c2)c1
InChIInChI=1S/C64H38N8S/c1-3-12-54-46(10-1)48-30-39(41-8-5-26-65-35-41)15-20-56(48)69(54)43-17-22-58-50(32-43)53-37-67-29-25-60(53)71(58)45-19-24-63-51(33-45)62(38-73-63)72-59-23-18-44(34-52(59)64-61(72)14-7-28-68-64)70-55-13-4-2-11-47(55)49-31-40(16-21-57(49)70)42-9-6-27-66-36-42/h1-38H
InChIKeyMQAMCAQPYSAIOH-UHFFFAOYSA-N
XLogP16.20
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.13
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 8-(3-pyridin-3-ylcarbazol-9-yl)-5-[3-[8-(3-pyridin-3-ylcarbazol-9-yl)pyrido[3,2-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3-pyridin-3-ylcarbazol-9-yl)-5-[3-[8-(3-pyridin-3-ylcarbazol-9-yl)pyrido[3,2-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indole?
The IUPAC name of 8-(3-pyridin-3-ylcarbazol-9-yl)-5-[3-[8-(3-pyridin-3-ylcarbazol-9-yl)pyrido[3,2-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indole (CID 90251082) is 8-(3-pyridin-3-ylcarbazol-9-yl)-5-[3-[8-(3-pyridin-3-ylcarbazol-9-yl)pyrido[3,2-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indole.
What is the SMILES notation for 8-(3-pyridin-3-ylcarbazol-9-yl)-5-[3-[8-(3-pyridin-3-ylcarbazol-9-yl)pyrido[3,2-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indole?
The canonical SMILES for 8-(3-pyridin-3-ylcarbazol-9-yl)-5-[3-[8-(3-pyridin-3-ylcarbazol-9-yl)pyrido[3,2-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indole is c1cncc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)c2cnccc2n3-c2ccc3scc(-n4c5ccc(-n6c7ccccc7c7cc(-c8cccnc8)ccc76)cc5c5ncccc54)c3c2)c1.
What is the InChIKey of 8-(3-pyridin-3-ylcarbazol-9-yl)-5-[3-[8-(3-pyridin-3-ylcarbazol-9-yl)pyrido[3,2-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indole?
The InChIKey is MQAMCAQPYSAIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N8S/c1-3-12-54-46(10-1)48-30-39(41-8-5-26-65-35-41)15-20-56(48)69(54)43-17-22-58-50(32-43)53-37-67-29-25-60(53)71(58)45-19-24-63-51(33-45)62(38-73-63)72-59-23-18-44(34-52(59)64-61(72)14-7-28-68-64)70-55-13-4-2-11-47(55)49-31-40(16-21-57(49)70)42-9-6-27-66-36-42/h1-38H.
What are the key properties of 8-(3-pyridin-3-ylcarbazol-9-yl)-5-[3-[8-(3-pyridin-3-ylcarbazol-9-yl)pyrido[3,2-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indole?
8-(3-pyridin-3-ylcarbazol-9-yl)-5-[3-[8-(3-pyridin-3-ylcarbazol-9-yl)pyrido[3,2-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indole has a molecular weight of 951.13 g/mol, XLogP of 16.20, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-pyridin-3-ylcarbazol-9-yl)-5-[3-[8-(3-pyridin-3-ylcarbazol-9-yl)pyrido[3,2-b]indol-5-yl]-1-benzothiophen-5-yl]pyrido[4,3-b]indole is sourced from PubChem (CID 90251082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).