N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine

C51H33N3O — CID 170177320

IUPACN-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(N(c2ccc(-c3nccc4oc5ccccc5c34)cc2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C51H33N3O/c1-2-12-36-31-42(28-23-34(36)11-1)53(39-26-24-35(25-27-39)51-50-45-19-5-8-22-48(45)55-49(50)29-30-52-51)40-15-9-13-37(32-40)38-14-10-16-41(33-38)54-46-20-6-3-17-43(46)44-18-4-7-21-47(44)54/h1-33H
InChIKeyOECUGZZGYFYRAW-UHFFFAOYSA-N
MW703.85 g/mol
LogP14.04
Rot. Bonds6

About N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine

N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine (PubChem CID 170177320) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine
PubChem CID170177320
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC NameN-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(N(c2ccc(-c3nccc4oc5ccccc5c34)cc2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C51H33N3O/c1-2-12-36-31-42(28-23-34(36)11-1)53(39-26-24-35(25-27-39)51-50-45-19-5-8-22-48(45)55-49(50)29-30-52-51)40-15-9-13-37(32-40)38-14-10-16-41(33-38)54-46-20-6-3-17-43(46)44-18-4-7-21-47(44)54/h1-33H
InChIKeyOECUGZZGYFYRAW-UHFFFAOYSA-N
XLogP14.04
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 153315011
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155398648
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 146578847
N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155398285
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155397954
N-(3-carbazol-9-ylphenyl)-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]naphthalen-2-amine
CID 153315025
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-3-naphthalen-2-ylaniline
CID 155398374
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146578844
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578288
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 146719839
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzofuran-3-amine;N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 163939327
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]naphthalen-2-amine
CID 155649331

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine?
The IUPAC name of N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine (CID 170177320) is N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine is c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(N(c2ccc(-c3nccc4oc5ccccc5c34)cc2)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine?
The InChIKey is OECUGZZGYFYRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-2-12-36-31-42(28-23-34(36)11-1)53(39-26-24-35(25-27-39)51-50-45-19-5-8-22-48(45)55-49(50)29-30-52-51)40-15-9-13-37(32-40)38-14-10-16-41(33-38)54-46-20-6-3-17-43(46)44-18-4-7-21-47(44)54/h1-33H.
What are the key properties of N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine?
N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine has a molecular weight of 703.85 g/mol, XLogP of 14.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 170177320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).