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

C44H28N2O — CID 163518594

IUPACN-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5ccccc5c4)c4cccc5oc6c7ccccc7ccc6c45)cc32)cc1
InChIInChI=1S/C44H28N2O/c1-2-14-32(15-3-1)46-39-18-9-8-17-36(39)37-26-24-34(28-41(37)46)45(33-23-21-29-11-4-5-13-31(29)27-33)40-19-10-20-42-43(40)38-25-22-30-12-6-7-16-35(30)44(38)47-42/h1-28H
InChIKeyDIWGEWFPVLXSEY-UHFFFAOYSA-N
MW600.72 g/mol
LogP12.46
Rot. Bonds4

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

N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine (PubChem CID 163518594) has the molecular formula C44H28N2O and a molecular weight of 600.72 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
PubChem CID163518594
Molecular FormulaC44H28N2O
Molecular Weight600.72 g/mol
Exact Mass600.22
IUPAC NameN-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5ccccc5c4)c4cccc5oc6c7ccccc7ccc6c45)cc32)cc1
InChIInChI=1S/C44H28N2O/c1-2-14-32(15-3-1)46-39-18-9-8-17-36(39)37-26-24-34(28-41(37)46)45(33-23-21-29-11-4-5-13-31(29)27-33)40-19-10-20-42-43(40)38-25-22-30-12-6-7-16-35(30)44(38)47-42/h1-28H
InChIKeyDIWGEWFPVLXSEY-UHFFFAOYSA-N
XLogP12.46
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine
CID 171738403
N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 171737636
N-naphthalen-2-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 168781501
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
N-dibenzofuran-1-yl-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 138717110
N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-7-phenylbenzo[c]carbazol-10-amine
CID 165058977
N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 163555827
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033851
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-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738968
N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 167277077
N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine
CID 176820503

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine?
The IUPAC name of N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine (CID 163518594) is N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine?
The canonical SMILES for N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5ccccc5c4)c4cccc5oc6c7ccccc7ccc6c45)cc32)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine?
The InChIKey is DIWGEWFPVLXSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O/c1-2-14-32(15-3-1)46-39-18-9-8-17-36(39)37-26-24-34(28-41(37)46)45(33-23-21-29-11-4-5-13-31(29)27-33)40-19-10-20-42-43(40)38-25-22-30-12-6-7-16-35(30)44(38)47-42/h1-28H.
What are the key properties of N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine?
N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine has a molecular weight of 600.72 g/mol, XLogP of 12.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 163518594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).