N-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine

C52H34N2O — CID 129085144

IUPACN-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c6ccccc6n(-c6cccc7ccccc67)c5c4)c3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-2-12-35(13-3-1)36-24-27-40(28-25-36)53(42-29-31-52-47(34-42)46-20-7-9-23-51(46)55-52)41-17-10-16-38(32-41)39-26-30-45-44-19-6-8-21-49(44)54(50(45)33-39)48-22-11-15-37-14-4-5-18-43(37)48/h1-34H
InChIKeyVBSIDJRKRQNYEB-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

About N-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine

N-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 129085144) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID129085144
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c6ccccc6n(-c6cccc7ccccc67)c5c4)c3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-2-12-35(13-3-1)36-24-27-40(28-25-36)53(42-29-31-52-47(34-42)46-20-7-9-23-51(46)55-52)41-17-10-16-38(32-41)39-26-30-45-44-19-6-8-21-49(44)54(50(45)33-39)48-22-11-15-37-14-4-5-18-43(37)48/h1-34H
InChIKeyVBSIDJRKRQNYEB-UHFFFAOYSA-N
XLogP14.64
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 129085144) is N-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccc5c6ccccc6n(-c6cccc7ccccc67)c5c4)c3)c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is VBSIDJRKRQNYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-2-12-35(13-3-1)36-24-27-40(28-25-36)53(42-29-31-52-47(34-42)46-20-7-9-23-51(46)55-52)41-17-10-16-38(32-41)39-26-30-45-44-19-6-8-21-49(44)54(50(45)33-39)48-22-11-15-37-14-4-5-18-43(37)48/h1-34H.
What are the key properties of N-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
N-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 702.86 g/mol, XLogP of 14.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 129085144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).