N,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine

C46H30N2O — CID 176795724

IUPACN,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3oc4cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c5ccccc5c4c23)cc1
InChIInChI=1S/C46H30N2O/c1-4-16-31(17-5-1)47(32-18-6-2-7-19-32)41-28-15-29-42-46(41)45-35-23-11-10-22-34(35)38(30-43(45)49-42)36-25-14-27-40-44(36)37-24-12-13-26-39(37)48(40)33-20-8-3-9-21-33/h1-30H
InChIKeyOXUVZFJBXQQXKS-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.97
Rot. Bonds5

About N,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine

N,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 176795724) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is N,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
PubChem CID176795724
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC NameN,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3oc4cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c5ccccc5c4c23)cc1
InChIInChI=1S/C46H30N2O/c1-4-16-31(17-5-1)47(32-18-6-2-7-19-32)41-28-15-29-42-46(41)45-35-23-11-10-22-34(35)38(30-43(45)49-42)36-25-14-27-40-44(36)37-24-12-13-26-39(37)48(40)33-20-8-3-9-21-33/h1-30H
InChIKeyOXUVZFJBXQQXKS-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

5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795776
N,N-diphenyl-5-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795601
5-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795873
N-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine
CID 176795871
5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176765221
N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine
CID 170034217
N,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795638
9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine
CID 176795732
N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine
CID 169009623
5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176795838
10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 176795708
N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010129

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of N,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine (CID 176795724) is N,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for N,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for N,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine is c1ccc(N(c2ccccc2)c2cccc3oc4cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c5ccccc5c4c23)cc1.
What is the InChIKey of N,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is OXUVZFJBXQQXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-4-16-31(17-5-1)47(32-18-6-2-7-19-32)41-28-15-29-42-46(41)45-35-23-11-10-22-34(35)38(30-43(45)49-42)36-25-14-27-40-44(36)37-24-12-13-26-39(37)48(40)33-20-8-3-9-21-33/h1-30H.
What are the key properties of N,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine?
N,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-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,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 176795724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).