7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine

C46H30N2O — CID 170376840

IUPAC7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine
SMILESc1ccc(-c2c3c(cc4c2c2cccc(N(c5ccccc5)c5ccccc5)c2n4-c2ccc4ccccc4c2)oc2ccccc23)cc1
InChIInChI=1S/C46H30N2O/c1-4-16-32(17-5-1)43-44-38-24-14-25-39(47(34-19-6-2-7-20-34)35-21-8-3-9-22-35)46(38)48(36-28-27-31-15-10-11-18-33(31)29-36)40(44)30-42-45(43)37-23-12-13-26-41(37)49-42/h1-30H
InChIKeyNOIATRGYBIEOSR-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.97
Rot. Bonds5

About 7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine

7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine (PubChem CID 170376840) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is 7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine.

Molecular Properties

Compound Name7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine
PubChem CID170376840
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC Name7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine
SMILESc1ccc(-c2c3c(cc4c2c2cccc(N(c5ccccc5)c5ccccc5)c2n4-c2ccc4ccccc4c2)oc2ccccc23)cc1
InChIInChI=1S/C46H30N2O/c1-4-16-32(17-5-1)43-44-38-24-14-25-39(47(34-19-6-2-7-20-34)35-21-8-3-9-22-35)46(38)48(36-28-27-31-15-10-11-18-33(31)29-36)40(44)30-42-45(43)37-23-12-13-26-41(37)49-42/h1-30H
InChIKeyNOIATRGYBIEOSR-UHFFFAOYSA-N
XLogP12.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine
CID 170377332
N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine
CID 170377335
12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377401
4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline
CID 170369758
N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine
CID 170369620
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-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170369705
4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline
CID 170376628
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377031
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170033639

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine?
The IUPAC name of 7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine (CID 170376840) is 7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine.
What is the SMILES notation for 7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine?
The canonical SMILES for 7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine is c1ccc(-c2c3c(cc4c2c2cccc(N(c5ccccc5)c5ccccc5)c2n4-c2ccc4ccccc4c2)oc2ccccc23)cc1.
What is the InChIKey of 7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine?
The InChIKey is NOIATRGYBIEOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-4-16-32(17-5-1)43-44-38-24-14-25-39(47(34-19-6-2-7-20-34)35-21-8-3-9-22-35)46(38)48(36-28-27-31-15-10-11-18-33(31)29-36)40(44)30-42-45(43)37-23-12-13-26-41(37)49-42/h1-30H.
What are the key properties of 7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine?
7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine has a molecular weight of 626.76 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine is sourced from PubChem (CID 170376840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).