N-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine

C42H32N2O — CID 129301080

IUPACN-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine
SMILESC1=CC2Oc3cc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccc(Nc7ccccc7)cc6)cc5)cc4)ccc3C2C=C1
InChIInChI=1S/C42H32N2O/c1-3-9-34(10-4-1)43-35-23-19-32(20-24-35)30-15-17-31(18-16-30)33-21-25-37(26-22-33)44(36-11-5-2-6-12-36)38-27-28-40-39-13-7-8-14-41(39)45-42(40)29-38/h1-29,39,41,43H
InChIKeyRICNYZGMWLLVPM-UHFFFAOYSA-N
MW580.73 g/mol
LogP11.20
Rot. Bonds7

About N-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine

N-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine (PubChem CID 129301080) has the molecular formula C42H32N2O and a molecular weight of 580.73 g/mol. Its IUPAC name is N-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine
PubChem CID129301080
Molecular FormulaC42H32N2O
Molecular Weight580.73 g/mol
Exact Mass580.25
IUPAC NameN-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine
SMILESC1=CC2Oc3cc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccc(Nc7ccccc7)cc6)cc5)cc4)ccc3C2C=C1
InChIInChI=1S/C42H32N2O/c1-3-9-34(10-4-1)43-35-23-19-32(20-24-35)30-15-17-31(18-16-30)33-21-25-37(26-22-33)44(36-11-5-2-6-12-36)38-27-28-40-39-13-7-8-14-41(39)45-42(40)29-38/h1-29,39,41,43H
InChIKeyRICNYZGMWLLVPM-UHFFFAOYSA-N
XLogP11.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.73
LogP ≤ 511.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 129301089
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463
N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline
CID 11235664
N-[4-(4-anilinophenyl)phenyl]-N-phenylnaphthalen-2-amine
CID 22389712
ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 91177685
4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 69462597
5-(4-anilinophenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71054362
N-[4-[3-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170133887
4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;ethane
CID 145125987
1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 142252530
3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 155205314
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine?
The IUPAC name of N-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine (CID 129301080) is N-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine.
What is the SMILES notation for N-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine?
The canonical SMILES for N-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine is C1=CC2Oc3cc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccc(Nc7ccccc7)cc6)cc5)cc4)ccc3C2C=C1.
What is the InChIKey of N-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine?
The InChIKey is RICNYZGMWLLVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2O/c1-3-9-34(10-4-1)43-35-23-19-32(20-24-35)30-15-17-31(18-16-30)33-21-25-37(26-22-33)44(36-11-5-2-6-12-36)38-27-28-40-39-13-7-8-14-41(39)45-42(40)29-38/h1-29,39,41,43H.
What are the key properties of N-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine?
N-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine has a molecular weight of 580.73 g/mol, XLogP of 11.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine is sourced from PubChem (CID 129301080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).