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

C52H34N2O — CID 129085125

IUPACN-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cccc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)c5)cc43)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-2-11-35(12-3-1)37-21-25-41(26-22-37)54-49-19-8-6-17-45(49)46-29-24-40(33-50(46)54)39-15-10-16-42(32-39)53(43-27-23-36-13-4-5-14-38(36)31-43)44-28-30-48-47-18-7-9-20-51(47)55-52(48)34-44/h1-34H
InChIKeyMNLIGMJIHAYRLP-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

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

N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-amine (PubChem CID 129085125) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-amine
PubChem CID129085125
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cccc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)c5)cc43)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-2-11-35(12-3-1)37-21-25-41(26-22-37)54-49-19-8-6-17-45(49)46-29-24-40(33-50(46)54)39-15-10-16-42(32-39)53(43-27-23-36-13-4-5-14-38(36)31-43)44-28-30-48-47-18-7-9-20-51(47)55-52(48)34-44/h1-34H
InChIKeyMNLIGMJIHAYRLP-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

Analyze N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-amine (CID 129085125) is N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cccc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)c5)cc43)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-amine?
The InChIKey is MNLIGMJIHAYRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-2-11-35(12-3-1)37-21-25-41(26-22-37)54-49-19-8-6-17-45(49)46-29-24-40(33-50(46)54)39-15-10-16-42(32-39)53(43-27-23-36-13-4-5-14-38(36)31-43)44-28-30-48-47-18-7-9-20-51(47)55-52(48)34-44/h1-34H.
What are the key properties of N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-amine?
N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-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-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 129085125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).