N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine

C46H30N2O — CID 171737667

IUPACN-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc4oc5c6ccccc6ccc5c34)c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C46H30N2O/c1-3-13-31(14-4-1)32-25-28-35(29-26-32)48(42-23-12-24-43-45(42)38-30-27-33-15-7-8-18-36(33)46(38)49-43)41-22-11-21-40-44(41)37-19-9-10-20-39(37)47(40)34-16-5-2-6-17-34/h1-30H
InChIKeyJJGUFWFOGQLXQX-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.97
Rot. Bonds5

About N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine

N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine (PubChem CID 171737667) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine.

Molecular Properties

Compound NameN-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
PubChem CID171737667
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC NameN-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc4oc5c6ccccc6ccc5c34)c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C46H30N2O/c1-3-13-31(14-4-1)32-25-28-35(29-26-32)48(42-23-12-24-43-45(42)38-30-27-33-15-7-8-18-36(33)46(38)49-43)41-22-11-21-40-44(41)37-19-9-10-20-39(37)47(40)34-16-5-2-6-17-34/h1-30H
InChIKeyJJGUFWFOGQLXQX-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

N-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine
CID 165048142
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737323
N-naphthalen-1-yl-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737680
N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine
CID 171738403
N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-7-phenylbenzo[c]carbazol-10-amine
CID 165058977
N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739037
N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 163555827
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737568
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739231
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738692
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737943

Frequently Asked Questions

What is the IUPAC name of N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?
The IUPAC name of N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine (CID 171737667) is N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine.
What is the SMILES notation for N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?
The canonical SMILES for N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine is c1ccc(-c2ccc(N(c3cccc4oc5c6ccccc6ccc5c34)c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?
The InChIKey is JJGUFWFOGQLXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-3-13-31(14-4-1)32-25-28-35(29-26-32)48(42-23-12-24-43-45(42)38-30-27-33-15-7-8-18-36(33)46(38)49-43)41-22-11-21-40-44(41)37-19-9-10-20-39(37)47(40)34-16-5-2-6-17-34/h1-30H.
What are the key properties of N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine?
N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-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 N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine is sourced from PubChem (CID 171737667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).