12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine

C52H34N2O — CID 170377401

IUPAC12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c(-c5ccc6ccccc6c5)c5c(cc3n4-c3ccccc3)oc3ccccc35)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-4-14-35(15-5-1)37-26-28-42(29-27-37)53(40-18-6-2-7-19-40)43-30-31-46-45(33-43)51-47(54(46)41-20-8-3-9-21-41)34-49-52(44-22-12-13-23-48(44)55-49)50(51)39-25-24-36-16-10-11-17-38(36)32-39/h1-34H
InChIKeySYHBSVKTPOCTSO-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

About 12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine

12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine (PubChem CID 170377401) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is 12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine.

Molecular Properties

Compound Name12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine
PubChem CID170377401
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC Name12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c(-c5ccc6ccccc6c5)c5c(cc3n4-c3ccccc3)oc3ccccc35)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-4-14-35(15-5-1)37-26-28-42(29-27-37)53(40-18-6-2-7-19-40)43-30-31-46-45(33-43)51-47(54(46)41-20-8-3-9-21-41)34-49-52(44-22-12-13-23-48(44)55-49)50(51)39-25-24-36-16-10-11-17-38(36)32-39/h1-34H
InChIKeySYHBSVKTPOCTSO-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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Related Compounds

N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170369705
12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine
CID 170377332
4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline
CID 170376628
N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170376619
N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine
CID 170369620
N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170369228
7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377031
7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170376943
N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 58510646
N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170376671
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170033937
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

Frequently Asked Questions

What is the IUPAC name of 12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine?
The IUPAC name of 12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine (CID 170377401) is 12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine.
What is the SMILES notation for 12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine?
The canonical SMILES for 12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c(-c5ccc6ccccc6c5)c5c(cc3n4-c3ccccc3)oc3ccccc35)cc2)cc1.
What is the InChIKey of 12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine?
The InChIKey is SYHBSVKTPOCTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-4-14-35(15-5-1)37-26-28-42(29-27-37)53(40-18-6-2-7-19-40)43-30-31-46-45(33-43)51-47(54(46)41-20-8-3-9-21-41)34-49-52(44-22-12-13-23-48(44)55-49)50(51)39-25-24-36-16-10-11-17-38(36)32-39/h1-34H.
What are the key properties of 12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine?
12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-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 12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine is sourced from PubChem (CID 170377401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).