9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole

C34H23N — CID 58971457

IUPAC9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc3c2)cc1
InChIInChI=1S/C34H23N/c1-2-8-24(9-3-1)26-14-16-29-23-27(15-17-28(29)22-26)25-18-20-30(21-19-25)35-33-12-6-4-10-31(33)32-11-5-7-13-34(32)35/h1-23H
InChIKeyRKRJOIDFQFQDBY-UHFFFAOYSA-N
MW445.57 g/mol
LogP9.27
Rot. Bonds3

About 9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole

9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole (PubChem CID 58971457) has the molecular formula C34H23N and a molecular weight of 445.57 g/mol. Its IUPAC name is 9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole
PubChem CID58971457
Molecular FormulaC34H23N
Molecular Weight445.57 g/mol
Exact Mass445.18
IUPAC Name9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc3c2)cc1
InChIInChI=1S/C34H23N/c1-2-8-24(9-3-1)26-14-16-29-23-27(15-17-28(29)22-26)25-18-20-30(21-19-25)35-33-12-6-4-10-31(33)32-11-5-7-13-34(32)35/h1-23H
InChIKeyRKRJOIDFQFQDBY-UHFFFAOYSA-N
XLogP9.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole (CID 58971457) is 9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole is c1ccc(-c2ccc3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc3c2)cc1.
What is the InChIKey of 9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole?
The InChIKey is RKRJOIDFQFQDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N/c1-2-8-24(9-3-1)26-14-16-29-23-27(15-17-28(29)22-26)25-18-20-30(21-19-25)35-33-12-6-4-10-31(33)32-11-5-7-13-34(32)35/h1-23H.
What are the key properties of 9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole?
9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole has a molecular weight of 445.57 g/mol, XLogP of 9.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole is sourced from PubChem (CID 58971457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).