3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole

C51H33N3 — CID 118508713

IUPAC3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccc9ccccc9c8)c7c6)ccc54)c3)n2)cc1
InChIInChI=1S/C51H33N3/c1-2-13-35(14-3-1)46-20-11-21-47(52-46)39-16-10-17-40(31-39)53-49-23-9-7-19-43(49)45-32-37(26-29-50(45)53)38-25-28-44-42-18-6-8-22-48(42)54(51(44)33-38)41-27-24-34-12-4-5-15-36(34)30-41/h1-33H
InChIKeyWQIWJUARFFFVTO-UHFFFAOYSA-N
MW687.85 g/mol
LogP13.43
Rot. Bonds5

About 3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole

3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole (PubChem CID 118508713) has the molecular formula C51H33N3 and a molecular weight of 687.85 g/mol. Its IUPAC name is 3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole.

Molecular Properties

Compound Name3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole
PubChem CID118508713
Molecular FormulaC51H33N3
Molecular Weight687.85 g/mol
Exact Mass687.27
IUPAC Name3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccc9ccccc9c8)c7c6)ccc54)c3)n2)cc1
InChIInChI=1S/C51H33N3/c1-2-13-35(14-3-1)46-20-11-21-47(52-46)39-16-10-17-40(31-39)53-49-23-9-7-19-43(49)45-32-37(26-29-50(45)53)38-25-28-44-42-18-6-8-22-48(42)54(51(44)33-38)41-27-24-34-12-4-5-15-36(34)30-41/h1-33H
InChIKeyWQIWJUARFFFVTO-UHFFFAOYSA-N
XLogP13.43
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.85
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-phenylcarbazol-2-yl)-9-[3-(6-triphenylen-2-yl-2-pyridinyl)phenyl]carbazole
CID 118509091
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole
CID 158991162
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
CID 126630464
2-[3-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149380
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
3-[9-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 130304706
2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 159883795
9-[3-[6-(4-nitrophenyl)-2-pyridinyl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazole
CID 121276835
3-[9-[4-[6-(4-iodophenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 121276823

Frequently Asked Questions

What is the IUPAC name of 3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole?
The IUPAC name of 3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole (CID 118508713) is 3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole.
What is the SMILES notation for 3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole?
The canonical SMILES for 3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole is c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccc9ccccc9c8)c7c6)ccc54)c3)n2)cc1.
What is the InChIKey of 3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole?
The InChIKey is WQIWJUARFFFVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3/c1-2-13-35(14-3-1)46-20-11-21-47(52-46)39-16-10-17-40(31-39)53-49-23-9-7-19-43(49)45-32-37(26-29-50(45)53)38-25-28-44-42-18-6-8-22-48(42)54(51(44)33-38)41-27-24-34-12-4-5-15-36(34)30-41/h1-33H.
What are the key properties of 3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole?
3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole has a molecular weight of 687.85 g/mol, XLogP of 13.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole is sourced from PubChem (CID 118508713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).