3-[9-[4-(benzimidazol-1-yl)-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

C91H56N8 — CID 164791537

IUPAC3-[9-[4-(benzimidazol-1-yl)-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c(-n5cnc6ccccc65)c(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C91H56N8/c1-2-26-59(27-3-1)94-73-39-15-12-36-68(73)70-54-57(50-52-83(70)94)58-51-53-84-71(55-58)69-37-13-24-48-82(69)99(84)91-89(97-78-44-20-8-32-64(78)65-33-9-21-45-79(65)97)87(95-74-40-16-4-28-60(74)61-29-5-17-41-75(61)95)86(93-56-92-72-38-14-25-49-85(72)93)88(96-76-42-18-6-30-62(76)63-31-7-19-43-77(63)96)90(91)98-80-46-22-10-34-66(80)67-35-11-23-47-81(67)98/h1-56H
InChIKeyUSPQWRKWRPTQBA-UHFFFAOYSA-N
MW1261.51 g/mol
LogP23.28
Rot. Bonds8

About 3-[9-[4-(benzimidazol-1-yl)-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[4-(benzimidazol-1-yl)-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 164791537) has the molecular formula C91H56N8 and a molecular weight of 1261.51 g/mol. Its IUPAC name is 3-[9-[4-(benzimidazol-1-yl)-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-(benzimidazol-1-yl)-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID164791537
Molecular FormulaC91H56N8
Molecular Weight1261.51 g/mol
Exact Mass1260.46
IUPAC Name3-[9-[4-(benzimidazol-1-yl)-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c(-n5cnc6ccccc65)c(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C91H56N8/c1-2-26-59(27-3-1)94-73-39-15-12-36-68(73)70-54-57(50-52-83(70)94)58-51-53-84-71(55-58)69-37-13-24-48-82(69)99(84)91-89(97-78-44-20-8-32-64(78)65-33-9-21-45-79(65)97)87(95-74-40-16-4-28-60(74)61-29-5-17-41-75(61)95)86(93-56-92-72-38-14-25-49-85(72)93)88(96-76-42-18-6-30-62(76)63-31-7-19-43-77(63)96)90(91)98-80-46-22-10-34-66(80)67-35-11-23-47-81(67)98/h1-56H
InChIKeyUSPQWRKWRPTQBA-UHFFFAOYSA-N
XLogP23.28
TPSA47.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001261.51
LogP ≤ 523.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazol-5-yl]carbazol-3-yl]-9-phenylcarbazole
CID 118487797
5-phenyl-11-(1-phenylbenzimidazol-5-yl)indolo[3,2-b]carbazole
CID 118487922
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(benzimidazol-1-yl)-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-(benzimidazol-1-yl)-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 164791537) is 3-[9-[4-(benzimidazol-1-yl)-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-(benzimidazol-1-yl)-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-(benzimidazol-1-yl)-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)c(-n5cnc6ccccc65)c(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)ccc32)cc1.
What is the InChIKey of 3-[9-[4-(benzimidazol-1-yl)-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is USPQWRKWRPTQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H56N8/c1-2-26-59(27-3-1)94-73-39-15-12-36-68(73)70-54-57(50-52-83(70)94)58-51-53-84-71(55-58)69-37-13-24-48-82(69)99(84)91-89(97-78-44-20-8-32-64(78)65-33-9-21-45-79(65)97)87(95-74-40-16-4-28-60(74)61-29-5-17-41-75(61)95)86(93-56-92-72-38-14-25-49-85(72)93)88(96-76-42-18-6-30-62(76)63-31-7-19-43-77(63)96)90(91)98-80-46-22-10-34-66(80)67-35-11-23-47-81(67)98/h1-56H.
What are the key properties of 3-[9-[4-(benzimidazol-1-yl)-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[4-(benzimidazol-1-yl)-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1261.51 g/mol, XLogP of 23.28, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(benzimidazol-1-yl)-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 164791537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).