N-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridin-8-amine

C49H31N3O — CID 170177307

IUPACN-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridin-8-amine
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccc5ccccc5c43)c2)cc(N(c2ccc3ccccc3c2)c2ccc3oc4ccncc4c3c2)c1
InChIInChI=1S/C49H31N3O/c1-2-11-34-27-39(21-19-32(34)9-1)51(40-22-24-47-44(30-40)45-31-50-26-25-48(45)53-47)37-14-7-12-35(28-37)36-13-8-15-38(29-36)52-46-18-6-5-17-42(46)43-23-20-33-10-3-4-16-41(33)49(43)52/h1-31H
InChIKeyKWGDLDCCDCXLRQ-UHFFFAOYSA-N
MW677.81 g/mol
LogP13.52
Rot. Bonds5

About N-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridin-8-amine

N-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridin-8-amine (PubChem CID 170177307) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is N-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridin-8-amine.

Molecular Properties

Compound NameN-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridin-8-amine
PubChem CID170177307
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC NameN-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridin-8-amine
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccc5ccccc5c43)c2)cc(N(c2ccc3ccccc3c2)c2ccc3oc4ccncc4c3c2)c1
InChIInChI=1S/C49H31N3O/c1-2-11-34-27-39(21-19-32(34)9-1)51(40-22-24-47-44(30-40)45-31-50-26-25-48(45)53-47)37-14-7-12-35(28-37)36-13-8-15-38(29-36)52-46-18-6-5-17-42(46)43-23-20-33-10-3-4-16-41(33)49(43)52/h1-31H
InChIKeyKWGDLDCCDCXLRQ-UHFFFAOYSA-N
XLogP13.52
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
CID 166847754
N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine
CID 170177320
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 168781835
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 168782026
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 153315011
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 146578847
N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 170363167
11-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)benzo[a]carbazol-2-amine;11-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]carbazol-2-amine;7-(11-phenylbenzo[a]carbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-phenyl-11-(4-phenylphenyl)-N-triphenylen-2-ylbenzo[a]carbazol-3-amine
CID 159992159
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine
CID 168737780
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578288
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 166847504
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 121260620

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridin-8-amine?
The IUPAC name of N-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridin-8-amine (CID 170177307) is N-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridin-8-amine.
What is the SMILES notation for N-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridin-8-amine?
The canonical SMILES for N-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridin-8-amine is c1cc(-c2cccc(-n3c4ccccc4c4ccc5ccccc5c43)c2)cc(N(c2ccc3ccccc3c2)c2ccc3oc4ccncc4c3c2)c1.
What is the InChIKey of N-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridin-8-amine?
The InChIKey is KWGDLDCCDCXLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-2-11-34-27-39(21-19-32(34)9-1)51(40-22-24-47-44(30-40)45-31-50-26-25-48(45)53-47)37-14-7-12-35(28-37)36-13-8-15-38(29-36)52-46-18-6-5-17-42(46)43-23-20-33-10-3-4-16-41(33)49(43)52/h1-31H.
What are the key properties of N-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridin-8-amine?
N-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridin-8-amine has a molecular weight of 677.81 g/mol, XLogP of 13.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridin-8-amine is sourced from PubChem (CID 170177307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).