6-(4,6-diphenyl-2-pyridinyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole

C57H37N3 — CID 134552471

IUPAC6-(4,6-diphenyl-2-pyridinyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6cc7ccccc7c(-c7cc(-c8ccccc8)cc(-c8ccccc8)n7)c65)cc43)cc2)cc1
InChIInChI=1S/C57H37N3/c1-4-16-38(17-5-1)40-28-30-44(31-29-40)59-53-26-14-12-24-47(53)49-33-32-45(37-55(49)59)60-54-27-15-13-25-48(54)50-34-42-22-10-11-23-46(42)56(57(50)60)52-36-43(39-18-6-2-7-19-39)35-51(58-52)41-20-8-3-9-21-41/h1-37H
InChIKeyJXOVRVGUNQYEJF-UHFFFAOYSA-N
MW763.94 g/mol
LogP15.10
Rot. Bonds6

About 6-(4,6-diphenyl-2-pyridinyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole

6-(4,6-diphenyl-2-pyridinyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole (PubChem CID 134552471) has the molecular formula C57H37N3 and a molecular weight of 763.94 g/mol. Its IUPAC name is 6-(4,6-diphenyl-2-pyridinyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name6-(4,6-diphenyl-2-pyridinyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole
PubChem CID134552471
Molecular FormulaC57H37N3
Molecular Weight763.94 g/mol
Exact Mass763.30
IUPAC Name6-(4,6-diphenyl-2-pyridinyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6cc7ccccc7c(-c7cc(-c8ccccc8)cc(-c8ccccc8)n7)c65)cc43)cc2)cc1
InChIInChI=1S/C57H37N3/c1-4-16-38(17-5-1)40-28-30-44(31-29-40)59-53-26-14-12-24-47(53)49-33-32-45(37-55(49)59)60-54-27-15-13-25-48(54)50-34-42-22-10-11-23-46(42)56(57(50)60)52-36-43(39-18-6-2-7-19-39)35-51(58-52)41-20-8-3-9-21-41/h1-37H
InChIKeyJXOVRVGUNQYEJF-UHFFFAOYSA-N
XLogP15.10
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.94
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole
CID 134552559
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552522
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692
7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155240607
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943390
9-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58943594
9-[4-[4-[3-[3-[3-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]-5-phenylphenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
CID 58943378
9-[3-carbazol-9-yl-5-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole
CID 58526987
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 161437197
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 134552606

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenyl-2-pyridinyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole?
The IUPAC name of 6-(4,6-diphenyl-2-pyridinyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole (CID 134552471) is 6-(4,6-diphenyl-2-pyridinyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole.
What is the SMILES notation for 6-(4,6-diphenyl-2-pyridinyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole?
The canonical SMILES for 6-(4,6-diphenyl-2-pyridinyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6cc7ccccc7c(-c7cc(-c8ccccc8)cc(-c8ccccc8)n7)c65)cc43)cc2)cc1.
What is the InChIKey of 6-(4,6-diphenyl-2-pyridinyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole?
The InChIKey is JXOVRVGUNQYEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3/c1-4-16-38(17-5-1)40-28-30-44(31-29-40)59-53-26-14-12-24-47(53)49-33-32-45(37-55(49)59)60-54-27-15-13-25-48(54)50-34-42-22-10-11-23-46(42)56(57(50)60)52-36-43(39-18-6-2-7-19-39)35-51(58-52)41-20-8-3-9-21-41/h1-37H.
What are the key properties of 6-(4,6-diphenyl-2-pyridinyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole?
6-(4,6-diphenyl-2-pyridinyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole has a molecular weight of 763.94 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-diphenyl-2-pyridinyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole is sourced from PubChem (CID 134552471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).