5-[2,5,6-tris(benzo[b]carbazol-5-yl)-4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]benzo[b]carbazole

C82H52N6 — CID 150686320

IUPAC5-[2,5,6-tris(benzo[b]carbazol-5-yl)-4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]benzo[b]carbazole
SMILESCc1cc(-c2ccccc2-c2c(-n3c4ccccc4c4cc5ccccc5cc43)c(-n3c4ccccc4c4cc5ccccc5cc43)nc(-n3c4ccccc4c4cc5ccccc5cc43)c2-n2c3ccccc3c3cc4ccccc4cc32)cc(C)n1
InChIInChI=1S/C82H52N6/c1-49-39-59(40-50(2)83-49)60-29-11-12-34-65(60)78-79(85-70-35-17-13-30-61(70)66-41-51-21-3-7-25-55(51)45-74(66)85)81(87-72-37-19-15-32-63(72)68-43-53-23-5-9-27-57(53)47-76(68)87)84-82(88-73-38-20-16-33-64(73)69-44-54-24-6-10-28-58(54)48-77(69)88)80(78)86-71-36-18-14-31-62(71)67-42-52-22-4-8-26-56(52)46-75(67)86/h3-48H,1-2H3
InChIKeyJIXYKYXTQSFGNY-UHFFFAOYSA-N
MW1121.36 g/mol
LogP21.43
Rot. Bonds6

About 5-[2,5,6-tris(benzo[b]carbazol-5-yl)-4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]benzo[b]carbazole

5-[2,5,6-tris(benzo[b]carbazol-5-yl)-4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]benzo[b]carbazole (PubChem CID 150686320) has the molecular formula C82H52N6 and a molecular weight of 1121.36 g/mol. Its IUPAC name is 5-[2,5,6-tris(benzo[b]carbazol-5-yl)-4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2,5,6-tris(benzo[b]carbazol-5-yl)-4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]benzo[b]carbazole
PubChem CID150686320
Molecular FormulaC82H52N6
Molecular Weight1121.36 g/mol
Exact Mass1120.43
IUPAC Name5-[2,5,6-tris(benzo[b]carbazol-5-yl)-4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]benzo[b]carbazole
SMILESCc1cc(-c2ccccc2-c2c(-n3c4ccccc4c4cc5ccccc5cc43)c(-n3c4ccccc4c4cc5ccccc5cc43)nc(-n3c4ccccc4c4cc5ccccc5cc43)c2-n2c3ccccc3c3cc4ccccc4cc32)cc(C)n1
InChIInChI=1S/C82H52N6/c1-49-39-59(40-50(2)83-49)60-29-11-12-34-65(60)78-79(85-70-35-17-13-30-61(70)66-41-51-21-3-7-25-55(51)45-74(66)85)81(87-72-37-19-15-32-63(72)68-43-53-23-5-9-27-57(53)47-76(68)87)84-82(88-73-38-20-16-33-64(73)69-44-54-24-6-10-28-58(54)48-77(69)88)80(78)86-71-36-18-14-31-62(71)67-42-52-22-4-8-26-56(52)46-75(67)86/h3-48H,1-2H3
InChIKeyJIXYKYXTQSFGNY-UHFFFAOYSA-N
XLogP21.43
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001121.36
LogP ≤ 521.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-2,5,6-tris(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 150579110
9-[2,5,6-tris(3,6-dicyanocarbazol-9-yl)-4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile
CID 151427371
9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole
CID 151269669
9-[4-[2,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole
CID 158442826
5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 151566908
3,6-di(carbazol-9-yl)-9-[2,5,6-tri(carbazol-9-yl)-4-(3,5-dimethylphenyl)-3-pyridinyl]carbazole
CID 146236385
2,3-bis(benzo[b]carbazol-5-yl)-5,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137369012
5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole
CID 155450728
5-(4-triphenylen-2-ylphthalazin-1-yl)benzo[b]carbazole
CID 139362303
5-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,6-tris(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 151536315
3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole
CID 146512463
9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole
CID 150433689

Frequently Asked Questions

What is the IUPAC name of 5-[2,5,6-tris(benzo[b]carbazol-5-yl)-4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]benzo[b]carbazole?
The IUPAC name of 5-[2,5,6-tris(benzo[b]carbazol-5-yl)-4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]benzo[b]carbazole (CID 150686320) is 5-[2,5,6-tris(benzo[b]carbazol-5-yl)-4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]benzo[b]carbazole.
What is the SMILES notation for 5-[2,5,6-tris(benzo[b]carbazol-5-yl)-4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]benzo[b]carbazole?
The canonical SMILES for 5-[2,5,6-tris(benzo[b]carbazol-5-yl)-4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]benzo[b]carbazole is Cc1cc(-c2ccccc2-c2c(-n3c4ccccc4c4cc5ccccc5cc43)c(-n3c4ccccc4c4cc5ccccc5cc43)nc(-n3c4ccccc4c4cc5ccccc5cc43)c2-n2c3ccccc3c3cc4ccccc4cc32)cc(C)n1.
What is the InChIKey of 5-[2,5,6-tris(benzo[b]carbazol-5-yl)-4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]benzo[b]carbazole?
The InChIKey is JIXYKYXTQSFGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H52N6/c1-49-39-59(40-50(2)83-49)60-29-11-12-34-65(60)78-79(85-70-35-17-13-30-61(70)66-41-51-21-3-7-25-55(51)45-74(66)85)81(87-72-37-19-15-32-63(72)68-43-53-23-5-9-27-57(53)47-76(68)87)84-82(88-73-38-20-16-33-64(73)69-44-54-24-6-10-28-58(54)48-77(69)88)80(78)86-71-36-18-14-31-62(71)67-42-52-22-4-8-26-56(52)46-75(67)86/h3-48H,1-2H3.
What are the key properties of 5-[2,5,6-tris(benzo[b]carbazol-5-yl)-4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]benzo[b]carbazole?
5-[2,5,6-tris(benzo[b]carbazol-5-yl)-4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]benzo[b]carbazole has a molecular weight of 1121.36 g/mol, XLogP of 21.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,5,6-tris(benzo[b]carbazol-5-yl)-4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]benzo[b]carbazole is sourced from PubChem (CID 150686320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).