7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole

C42H27N — CID 130350960

IUPAC7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2ccc3cc(-c4ccc5ccc6c(c5c4)c4ccccc4n6-c4cccc5ccccc45)ccc3c2)cc1
InChIInChI=1S/C42H27N/c1-2-9-28(10-3-1)31-19-20-33-26-34(22-21-32(33)25-31)35-18-17-30-23-24-41-42(38(30)27-35)37-14-6-7-15-40(37)43(41)39-16-8-12-29-11-4-5-13-36(29)39/h1-27H
InChIKeyUQESGMMZODDAGN-UHFFFAOYSA-N
MW545.69 g/mol
LogP11.58
Rot. Bonds3

About 7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole

7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole (PubChem CID 130350960) has the molecular formula C42H27N and a molecular weight of 545.69 g/mol. Its IUPAC name is 7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
PubChem CID130350960
Molecular FormulaC42H27N
Molecular Weight545.69 g/mol
Exact Mass545.21
IUPAC Name7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2ccc3cc(-c4ccc5ccc6c(c5c4)c4ccccc4n6-c4cccc5ccccc45)ccc3c2)cc1
InChIInChI=1S/C42H27N/c1-2-9-28(10-3-1)31-19-20-33-26-34(22-21-32(33)25-31)35-18-17-30-23-24-41-42(38(30)27-35)37-14-6-7-15-40(37)43(41)39-16-8-12-29-11-4-5-13-36(29)39/h1-27H
InChIKeyUQESGMMZODDAGN-UHFFFAOYSA-N
XLogP11.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.69
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole?
The IUPAC name of 7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole (CID 130350960) is 7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole.
What is the SMILES notation for 7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole?
The canonical SMILES for 7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole is c1ccc(-c2ccc3cc(-c4ccc5ccc6c(c5c4)c4ccccc4n6-c4cccc5ccccc45)ccc3c2)cc1.
What is the InChIKey of 7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole?
The InChIKey is UQESGMMZODDAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N/c1-2-9-28(10-3-1)31-19-20-33-26-34(22-21-32(33)25-31)35-18-17-30-23-24-41-42(38(30)27-35)37-14-6-7-15-40(37)43(41)39-16-8-12-29-11-4-5-13-36(29)39/h1-27H.
What are the key properties of 7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole?
7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole has a molecular weight of 545.69 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole is sourced from PubChem (CID 130350960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).