N-[4-[4-[N-(3H-inden-1-yl)anilino]phenyl]phenyl]-N-phenyl-3H-inden-1-amine

C42H32N2 — CID 172697347

IUPACN-[4-[4-[N-(3H-inden-1-yl)anilino]phenyl]phenyl]-N-phenyl-3H-inden-1-amine
SMILESC1=C(N(c2ccccc2)c2ccc(-c3ccc(N(C4=CCc5ccccc54)c4ccccc4)cc3)cc2)c2ccccc2C1
InChIInChI=1S/C42H32N2/c1-3-13-35(14-4-1)43(41-29-23-33-11-7-9-17-39(33)41)37-25-19-31(20-26-37)32-21-27-38(28-22-32)44(36-15-5-2-6-16-36)42-30-24-34-12-8-10-18-40(34)42/h1-22,25-30H,23-24H2
InChIKeyCMMVHDGJTUVDKF-UHFFFAOYSA-N
MW564.73 g/mol
LogP10.82
Rot. Bonds7

About N-[4-[4-[N-(3H-inden-1-yl)anilino]phenyl]phenyl]-N-phenyl-3H-inden-1-amine

N-[4-[4-[N-(3H-inden-1-yl)anilino]phenyl]phenyl]-N-phenyl-3H-inden-1-amine (PubChem CID 172697347) has the molecular formula C42H32N2 and a molecular weight of 564.73 g/mol. Its IUPAC name is N-[4-[4-[N-(3H-inden-1-yl)anilino]phenyl]phenyl]-N-phenyl-3H-inden-1-amine.

Molecular Properties

Compound NameN-[4-[4-[N-(3H-inden-1-yl)anilino]phenyl]phenyl]-N-phenyl-3H-inden-1-amine
PubChem CID172697347
Molecular FormulaC42H32N2
Molecular Weight564.73 g/mol
Exact Mass564.26
IUPAC NameN-[4-[4-[N-(3H-inden-1-yl)anilino]phenyl]phenyl]-N-phenyl-3H-inden-1-amine
SMILESC1=C(N(c2ccccc2)c2ccc(-c3ccc(N(C4=CCc5ccccc54)c4ccccc4)cc3)cc2)c2ccccc2C1
InChIInChI=1S/C42H32N2/c1-3-13-35(14-4-1)43(41-29-23-33-11-7-9-17-39(33)41)37-25-19-31(20-26-37)32-21-27-38(28-22-32)44(36-15-5-2-6-16-36)42-30-24-34-12-8-10-18-40(34)42/h1-22,25-30H,23-24H2
InChIKeyCMMVHDGJTUVDKF-UHFFFAOYSA-N
XLogP10.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157436916
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[N-(3H-inden-1-yl)anilino]phenyl]phenyl]-N-phenyl-3H-inden-1-amine?
The IUPAC name of N-[4-[4-[N-(3H-inden-1-yl)anilino]phenyl]phenyl]-N-phenyl-3H-inden-1-amine (CID 172697347) is N-[4-[4-[N-(3H-inden-1-yl)anilino]phenyl]phenyl]-N-phenyl-3H-inden-1-amine.
What is the SMILES notation for N-[4-[4-[N-(3H-inden-1-yl)anilino]phenyl]phenyl]-N-phenyl-3H-inden-1-amine?
The canonical SMILES for N-[4-[4-[N-(3H-inden-1-yl)anilino]phenyl]phenyl]-N-phenyl-3H-inden-1-amine is C1=C(N(c2ccccc2)c2ccc(-c3ccc(N(C4=CCc5ccccc54)c4ccccc4)cc3)cc2)c2ccccc2C1.
What is the InChIKey of N-[4-[4-[N-(3H-inden-1-yl)anilino]phenyl]phenyl]-N-phenyl-3H-inden-1-amine?
The InChIKey is CMMVHDGJTUVDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2/c1-3-13-35(14-4-1)43(41-29-23-33-11-7-9-17-39(33)41)37-25-19-31(20-26-37)32-21-27-38(28-22-32)44(36-15-5-2-6-16-36)42-30-24-34-12-8-10-18-40(34)42/h1-22,25-30H,23-24H2.
What are the key properties of N-[4-[4-[N-(3H-inden-1-yl)anilino]phenyl]phenyl]-N-phenyl-3H-inden-1-amine?
N-[4-[4-[N-(3H-inden-1-yl)anilino]phenyl]phenyl]-N-phenyl-3H-inden-1-amine has a molecular weight of 564.73 g/mol, XLogP of 10.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[N-(3H-inden-1-yl)anilino]phenyl]phenyl]-N-phenyl-3H-inden-1-amine is sourced from PubChem (CID 172697347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).