9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-3-[2-(2,3-dihydropyridin-2-yl)phenyl]-6-[2-(2,3-dihydropyridin-6-yl)phenyl]carbazole

C80H54N6S — CID 163554308

IUPAC9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-3-[2-(2,3-dihydropyridin-2-yl)phenyl]-6-[2-(2,3-dihydropyridin-6-yl)phenyl]carbazole
SMILESC1=CCC(c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4C4=NCCC=C4)ccc2n3-c2ccc3sc4ccc(-n5c6ccc(-c7ccccc7-c7ccccn7)cc6c6cc(-c7ccccc7-c7ccccn7)ccc65)cc4c3c2)N=C1
InChIInChI=1S/C80H54N6S/c1-5-21-61(71-25-9-13-41-81-71)57(17-1)51-29-35-75-65(45-51)66-46-52(58-18-2-6-22-62(58)72-26-10-14-42-82-72)30-36-76(66)85(75)55-33-39-79-69(49-55)70-50-56(34-40-80(70)87-79)86-77-37-31-53(59-19-3-7-23-63(59)73-27-11-15-43-83-73)47-67(77)68-48-54(32-38-78(68)86)60-20-4-8-24-64(60)74-28-12-16-44-84-74/h1-15,17-26,28-43,45-50,73H,16,27,44H2
InChIKeyFLSDSQORWNPXLN-UHFFFAOYSA-N
MW1131.42 g/mol
LogP20.86
Rot. Bonds10

About 9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-3-[2-(2,3-dihydropyridin-2-yl)phenyl]-6-[2-(2,3-dihydropyridin-6-yl)phenyl]carbazole

9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-3-[2-(2,3-dihydropyridin-2-yl)phenyl]-6-[2-(2,3-dihydropyridin-6-yl)phenyl]carbazole (PubChem CID 163554308) has the molecular formula C80H54N6S and a molecular weight of 1131.42 g/mol. Its IUPAC name is 9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-3-[2-(2,3-dihydropyridin-2-yl)phenyl]-6-[2-(2,3-dihydropyridin-6-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-3-[2-(2,3-dihydropyridin-2-yl)phenyl]-6-[2-(2,3-dihydropyridin-6-yl)phenyl]carbazole
PubChem CID163554308
Molecular FormulaC80H54N6S
Molecular Weight1131.42 g/mol
Exact Mass1130.41
IUPAC Name9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-3-[2-(2,3-dihydropyridin-2-yl)phenyl]-6-[2-(2,3-dihydropyridin-6-yl)phenyl]carbazole
SMILESC1=CCC(c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4C4=NCCC=C4)ccc2n3-c2ccc3sc4ccc(-n5c6ccc(-c7ccccc7-c7ccccn7)cc6c6cc(-c7ccccc7-c7ccccn7)ccc65)cc4c3c2)N=C1
InChIInChI=1S/C80H54N6S/c1-5-21-61(71-25-9-13-41-81-71)57(17-1)51-29-35-75-65(45-51)66-46-52(58-18-2-6-22-62(58)72-26-10-14-42-82-72)30-36-76(66)85(75)55-33-39-79-69(49-55)70-50-56(34-40-80(70)87-79)86-77-37-31-53(59-19-3-7-23-63(59)73-27-11-15-43-83-73)47-67(77)68-48-54(32-38-78(68)86)60-20-4-8-24-64(60)74-28-12-16-44-84-74/h1-15,17-26,28-43,45-50,73H,16,27,44H2
InChIKeyFLSDSQORWNPXLN-UHFFFAOYSA-N
XLogP20.86
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.42
LogP ≤ 520.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-3-[2-(2,3-dihydropyridin-2-yl)phenyl]-6-[2-(2,3-dihydropyridin-6-yl)phenyl]carbazole with MolForge

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Related Compounds

3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)-9H-fluoren-9-yl]dibenzothiophen-2-yl]carbazole
CID 118069043
9-(8-cyclohexa-2,4-dien-1-yl-6,7-dihydrodibenzothiophen-2-yl)-3,6-bis(2-pyridin-2-ylphenyl)carbazole
CID 144627584
5-dibenzofuran-2-yl-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;5-dibenzothiophen-2-yl-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;5-phenylpyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzothiophen-2-yl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole;5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole
CID 157173487
(4Z)-2,3-dimethylhexa-2,4-diene;9-[8-(1-methyl-2-pyridin-2-ylcyclohexa-2,4-dien-1-yl)dibenzothiophen-2-yl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole
CID 145317707
5-(9-methylcarbazol-3-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
CID 58370085
8-(5-phenyl-3-pyridinyl)-5-[8-[8-(5-phenyl-3-pyridinyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;8-(3-pyridin-2-ylphenyl)-5-[8-[8-(3-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;8-(3-pyridin-3-ylphenyl)-5-[8-[8-(3-pyridin-3-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;8-(3-pyridin-4-ylphenyl)-5-[8-[8-(3-pyridin-4-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzothiophen-2-yl]pyrido[3,2-b]indole
CID 160864468
5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene
CID 144612501
8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole
CID 129259902
9-(7,8-dipyridin-2-yldibenzofuran-2-yl)-3,6-bis(2-pyridin-2-ylphenyl)carbazole;methanamine;pyridine
CID 144536431
(1Z,3Z)-5-[8-[3-(6-pyridin-2-ylcyclohexa-2,4-dien-1-yl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]hexa-1,3-dien-1-amine
CID 163461509
3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole
CID 123136164
2-methylpyridine;3-[(3Z,5Z)-3-pyridin-2-ylhepta-1,3,5-trien-4-yl]-6-(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole
CID 144612482

Frequently Asked Questions

What is the IUPAC name of 9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-3-[2-(2,3-dihydropyridin-2-yl)phenyl]-6-[2-(2,3-dihydropyridin-6-yl)phenyl]carbazole?
The IUPAC name of 9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-3-[2-(2,3-dihydropyridin-2-yl)phenyl]-6-[2-(2,3-dihydropyridin-6-yl)phenyl]carbazole (CID 163554308) is 9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-3-[2-(2,3-dihydropyridin-2-yl)phenyl]-6-[2-(2,3-dihydropyridin-6-yl)phenyl]carbazole.
What is the SMILES notation for 9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-3-[2-(2,3-dihydropyridin-2-yl)phenyl]-6-[2-(2,3-dihydropyridin-6-yl)phenyl]carbazole?
The canonical SMILES for 9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-3-[2-(2,3-dihydropyridin-2-yl)phenyl]-6-[2-(2,3-dihydropyridin-6-yl)phenyl]carbazole is C1=CCC(c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4C4=NCCC=C4)ccc2n3-c2ccc3sc4ccc(-n5c6ccc(-c7ccccc7-c7ccccn7)cc6c6cc(-c7ccccc7-c7ccccn7)ccc65)cc4c3c2)N=C1.
What is the InChIKey of 9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-3-[2-(2,3-dihydropyridin-2-yl)phenyl]-6-[2-(2,3-dihydropyridin-6-yl)phenyl]carbazole?
The InChIKey is FLSDSQORWNPXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H54N6S/c1-5-21-61(71-25-9-13-41-81-71)57(17-1)51-29-35-75-65(45-51)66-46-52(58-18-2-6-22-62(58)72-26-10-14-42-82-72)30-36-76(66)85(75)55-33-39-79-69(49-55)70-50-56(34-40-80(70)87-79)86-77-37-31-53(59-19-3-7-23-63(59)73-27-11-15-43-83-73)47-67(77)68-48-54(32-38-78(68)86)60-20-4-8-24-64(60)74-28-12-16-44-84-74/h1-15,17-26,28-43,45-50,73H,16,27,44H2.
What are the key properties of 9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-3-[2-(2,3-dihydropyridin-2-yl)phenyl]-6-[2-(2,3-dihydropyridin-6-yl)phenyl]carbazole?
9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-3-[2-(2,3-dihydropyridin-2-yl)phenyl]-6-[2-(2,3-dihydropyridin-6-yl)phenyl]carbazole has a molecular weight of 1131.42 g/mol, XLogP of 20.86, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-3-[2-(2,3-dihydropyridin-2-yl)phenyl]-6-[2-(2,3-dihydropyridin-6-yl)phenyl]carbazole is sourced from PubChem (CID 163554308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).