N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine

C46H30N2O — CID 58510838

IUPACN-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine
SMILESc1ccc2c(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc2c1
InChIInChI=1S/C46H30N2O/c1-2-12-37-32(10-1)11-9-18-42(37)47(34-23-20-31(21-24-34)33-22-29-46-41(30-33)40-15-5-8-19-45(40)49-46)35-25-27-36(28-26-35)48-43-16-6-3-13-38(43)39-14-4-7-17-44(39)48/h1-30H
InChIKeyCFZHVURWHIRGQD-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.97
Rot. Bonds5

About N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine

N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine (PubChem CID 58510838) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine
PubChem CID58510838
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine
SMILESc1ccc2c(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc2c1
InChIInChI=1S/C46H30N2O/c1-2-12-37-32(10-1)11-9-18-42(37)47(34-23-20-31(21-24-34)33-22-29-46-41(30-33)40-15-5-8-19-45(40)49-46)35-25-27-36(28-26-35)48-43-16-6-3-13-38(43)39-14-4-7-17-44(39)48/h1-30H
InChIKeyCFZHVURWHIRGQD-UHFFFAOYSA-N
XLogP12.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine (CID 58510838) is N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine is c1ccc2c(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc2c1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine?
The InChIKey is CFZHVURWHIRGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-2-12-37-32(10-1)11-9-18-42(37)47(34-23-20-31(21-24-34)33-22-29-46-41(30-33)40-15-5-8-19-45(40)49-46)35-25-27-36(28-26-35)48-43-16-6-3-13-38(43)39-14-4-7-17-44(39)48/h1-30H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine?
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine has a molecular weight of 626.76 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 58510838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).