N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine

C40H26N2O — CID 171738403

IUPACN-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C40H26N2O/c1-3-13-28(14-4-1)41(36-20-11-21-38-39(36)34-24-22-27-12-7-8-17-31(27)40(34)43-38)30-23-25-33-32-18-9-10-19-35(32)42(37(33)26-30)29-15-5-2-6-16-29/h1-26H
InChIKeyKXDDVABBIQWCCS-UHFFFAOYSA-N
MW550.66 g/mol
LogP11.31
Rot. Bonds4

About N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine

N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine (PubChem CID 171738403) has the molecular formula C40H26N2O and a molecular weight of 550.66 g/mol. Its IUPAC name is N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine.

Molecular Properties

Compound NameN-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine
PubChem CID171738403
Molecular FormulaC40H26N2O
Molecular Weight550.66 g/mol
Exact Mass550.20
IUPAC NameN-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C40H26N2O/c1-3-13-28(14-4-1)41(36-20-11-21-38-39(36)34-24-22-27-12-7-8-17-31(27)40(34)43-38)30-23-25-33-32-18-9-10-19-35(32)42(37(33)26-30)29-15-5-2-6-16-29/h1-26H
InChIKeyKXDDVABBIQWCCS-UHFFFAOYSA-N
XLogP11.31
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.66
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 163518594
N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 171737636
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 167277077
N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739037
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737618
N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 171737667
N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 163555827
N-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738262
N-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine
CID 165048142
N-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738551
N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737323

Frequently Asked Questions

What is the IUPAC name of N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine?
The IUPAC name of N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine (CID 171738403) is N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine.
What is the SMILES notation for N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine?
The canonical SMILES for N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine is c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3oc4c5ccccc5ccc4c23)cc1.
What is the InChIKey of N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine?
The InChIKey is KXDDVABBIQWCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2O/c1-3-13-28(14-4-1)41(36-20-11-21-38-39(36)34-24-22-27-12-7-8-17-31(27)40(34)43-38)30-23-25-33-32-18-9-10-19-35(32)42(37(33)26-30)29-15-5-2-6-16-29/h1-26H.
What are the key properties of N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine?
N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine has a molecular weight of 550.66 g/mol, XLogP of 11.31, 4 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-N,9-diphenylcarbazol-2-amine is sourced from PubChem (CID 171738403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).