N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine

C46H30N2O — CID 170034217

IUPACN-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3ccc3oc5ccccc5c34)cc2)c2cccc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C46H30N2O/c1-3-13-32(14-4-1)47(41-22-12-23-42-46(41)38-17-7-9-21-40(38)48(42)33-15-5-2-6-16-33)34-27-25-31(26-28-34)35-19-11-20-37-36(35)29-30-44-45(37)39-18-8-10-24-43(39)49-44/h1-30H
InChIKeyGWELMCQQYDTICB-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.97
Rot. Bonds5

About N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine

N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine (PubChem CID 170034217) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine
PubChem CID170034217
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC NameN-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3ccc3oc5ccccc5c34)cc2)c2cccc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C46H30N2O/c1-3-13-32(14-4-1)47(41-22-12-23-42-46(41)38-17-7-9-21-40(38)48(42)33-15-5-2-6-16-33)34-27-25-31(26-28-34)35-19-11-20-37-36(35)29-30-44-45(37)39-18-8-10-24-43(39)49-44/h1-30H
InChIKeyGWELMCQQYDTICB-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

9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-10-yl)-N-(4-phenylphenyl)carbazol-4-amine
CID 176795701
10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 176795708
5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176765221
N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172500744
N-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 168807443
N-(4-dibenzofuran-1-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-4-amine
CID 168790807
N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine
CID 169009623
N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine
CID 168805442
N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010129
N,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795724
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]dibenzofuran-1-amine
CID 146360098
9-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine
CID 167061566

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine (CID 170034217) is N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine is c1ccc(N(c2ccc(-c3cccc4c3ccc3oc5ccccc5c34)cc2)c2cccc3c2c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine?
The InChIKey is GWELMCQQYDTICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-3-13-32(14-4-1)47(41-22-12-23-42-46(41)38-17-7-9-21-40(38)48(42)33-15-5-2-6-16-33)34-27-25-31(26-28-34)35-19-11-20-37-36(35)29-30-44-45(37)39-18-8-10-24-43(39)49-44/h1-30H.
What are the key properties of N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine?
N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-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-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine is sourced from PubChem (CID 170034217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).