6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine

C46H31NO — CID 169280658

IUPAC6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3cc(-c3ccccc3)c3c5ccccc5oc43)cc2)cc1
InChIInChI=1S/C46H31NO/c1-4-13-32(14-5-1)34-23-27-37(28-24-34)47(38-29-25-35(26-30-38)33-15-6-2-7-16-33)43-21-12-20-39-42(43)31-41(36-17-8-3-9-18-36)45-40-19-10-11-22-44(40)48-46(39)45/h1-31H
InChIKeyRKLZUVQFLXDDMV-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

About 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine

6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine (PubChem CID 169280658) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine.

Molecular Properties

Compound Name6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
PubChem CID169280658
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC Name6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3cc(-c3ccccc3)c3c5ccccc5oc43)cc2)cc1
InChIInChI=1S/C46H31NO/c1-4-13-32(14-5-1)34-23-27-37(28-24-34)47(38-29-25-35(26-30-38)33-15-6-2-7-16-33)43-21-12-20-39-42(43)31-41(36-17-8-3-9-18-36)45-40-19-10-11-22-44(40)48-46(39)45/h1-31H
InChIKeyRKLZUVQFLXDDMV-UHFFFAOYSA-N
XLogP13.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine with MolForge

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Related Compounds

5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423267
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-phenyl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423541
N-[4-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157330608
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
N-dibenzofuran-4-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403132
N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine
CID 165037570
N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172502136
N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744376
N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzofuran-1-amine
CID 167144315
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N,4-diphenylaniline
CID 167132748
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine?
The IUPAC name of 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine (CID 169280658) is 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine.
What is the SMILES notation for 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine?
The canonical SMILES for 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3cc(-c3ccccc3)c3c5ccccc5oc43)cc2)cc1.
What is the InChIKey of 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine?
The InChIKey is RKLZUVQFLXDDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-4-13-32(14-5-1)34-23-27-37(28-24-34)47(38-29-25-35(26-30-38)33-15-6-2-7-16-33)43-21-12-20-39-42(43)31-41(36-17-8-3-9-18-36)45-40-19-10-11-22-44(40)48-46(39)45/h1-31H.
What are the key properties of 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine?
6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine has a molecular weight of 613.76 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine is sourced from PubChem (CID 169280658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).