9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole

C64H40N6 — CID 151269669

IUPAC9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole
SMILESc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c(-c2ccncc2)c1
InChIInChI=1S/C64H40N6/c1-2-28-51(42(19-1)41-37-39-65-40-38-41)60-61(67-52-29-11-3-20-43(52)44-21-4-12-30-53(44)67)63(69-56-33-15-7-24-47(56)48-25-8-16-34-57(48)69)66-64(70-58-35-17-9-26-49(58)50-27-10-18-36-59(50)70)62(60)68-54-31-13-5-22-45(54)46-23-6-14-32-55(46)68/h1-40H
InChIKeyNWBVRVAHGXFPNZ-UHFFFAOYSA-N
MW893.07 g/mol
LogP16.20
Rot. Bonds6

About 9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole

9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole (PubChem CID 151269669) has the molecular formula C64H40N6 and a molecular weight of 893.07 g/mol. Its IUPAC name is 9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole.

Molecular Properties

Compound Name9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole
PubChem CID151269669
Molecular FormulaC64H40N6
Molecular Weight893.07 g/mol
Exact Mass892.33
IUPAC Name9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole
SMILESc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c(-c2ccncc2)c1
InChIInChI=1S/C64H40N6/c1-2-28-51(42(19-1)41-37-39-65-40-38-41)60-61(67-52-29-11-3-20-43(52)44-21-4-12-30-53(44)67)63(69-56-33-15-7-24-47(56)48-25-8-16-34-57(48)69)66-64(70-58-35-17-9-26-49(58)50-27-10-18-36-59(50)70)62(60)68-54-31-13-5-22-45(54)46-23-6-14-32-55(46)68/h1-40H
InChIKeyNWBVRVAHGXFPNZ-UHFFFAOYSA-N
XLogP16.20
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.07
LogP ≤ 516.20
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
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-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole
CID 146511865
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
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
2-methyl-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole
CID 170236430
3-methyl-9-[4-[2,5,6-tris[4-(3-methylcarbazol-9-yl)phenyl]-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]phenyl]carbazole
CID 151514025
5-[4-dibenzothiophen-4-yl-2,6-bis(3,6-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole
CID 150006227
9-[3,6-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]-3,6-diphenylcarbazole
CID 142508353
2-(1,1,2,2,2-pentadeuterioethyl)-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole
CID 169071903
3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile
CID 170438068

Frequently Asked Questions

What is the IUPAC name of 9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole?
The IUPAC name of 9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole (CID 151269669) is 9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole.
What is the SMILES notation for 9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole?
The canonical SMILES for 9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole is c1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c(-c2ccncc2)c1.
What is the InChIKey of 9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole?
The InChIKey is NWBVRVAHGXFPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N6/c1-2-28-51(42(19-1)41-37-39-65-40-38-41)60-61(67-52-29-11-3-20-43(52)44-21-4-12-30-53(44)67)63(69-56-33-15-7-24-47(56)48-25-8-16-34-57(48)69)66-64(70-58-35-17-9-26-49(58)50-27-10-18-36-59(50)70)62(60)68-54-31-13-5-22-45(54)46-23-6-14-32-55(46)68/h1-40H.
What are the key properties of 9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole?
9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole has a molecular weight of 893.07 g/mol, XLogP of 16.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole is sourced from PubChem (CID 151269669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).