4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine

C66H56N4 — CID 175763314

IUPAC4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine
SMILESCC1(C)CC(C)(c2ccc(Nc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21
InChIInChI=1S/C66H56N4/c1-65(2)48-66(3,51-31-33-52(34-32-51)67-53-35-39-59(40-36-53)68(54-21-11-5-12-22-54)55-23-13-6-14-24-55)64-47-62(45-46-63(64)65)70(58-37-29-50(30-38-58)49-19-9-4-10-20-49)61-43-41-60(42-44-61)69(56-25-15-7-16-26-56)57-27-17-8-18-28-57/h4-47,67H,48H2,1-3H3
InChIKeyIGGTWWNMNZMWRQ-UHFFFAOYSA-N
MW905.20 g/mol
LogP18.49
Rot. Bonds13

About 4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine

4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine (PubChem CID 175763314) has the molecular formula C66H56N4 and a molecular weight of 905.20 g/mol. Its IUPAC name is 4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine
PubChem CID175763314
Molecular FormulaC66H56N4
Molecular Weight905.20 g/mol
Exact Mass904.45
IUPAC Name4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine
SMILESCC1(C)CC(C)(c2ccc(Nc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21
InChIInChI=1S/C66H56N4/c1-65(2)48-66(3,51-31-33-52(34-32-51)67-53-35-39-59(40-36-53)68(54-21-11-5-12-22-54)55-23-13-6-14-24-55)64-47-62(45-46-63(64)65)70(58-37-29-50(30-38-58)49-19-9-4-10-20-49)61-43-41-60(42-44-61)69(56-25-15-7-16-26-56)57-27-17-8-18-28-57/h4-47,67H,48H2,1-3H3
InChIKeyIGGTWWNMNZMWRQ-UHFFFAOYSA-N
XLogP18.49
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.20
LogP ≤ 518.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine with MolForge

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Related Compounds

1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine
CID 142469435
5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735917
4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 142469386
N-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine
CID 159438248
5,5,8,8-tetramethyl-N-phenyl-N-[4-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735963
N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 170223052
N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735973
2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole
CID 58185915
N-phenyl-N-[4-[4-(N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 170223047
4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 171735947
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463
N-[1-[3-[bis(9,9-diphenylfluoren-2-yl)amino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;1,3,3-trimethyl-N-(4-methylphenyl)-1-[3-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N-(4-phenylphenyl)-2H-inden-5-amine
CID 158817105

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine (CID 175763314) is 4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine is CC1(C)CC(C)(c2ccc(Nc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21.
What is the InChIKey of 4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine?
The InChIKey is IGGTWWNMNZMWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H56N4/c1-65(2)48-66(3,51-31-33-52(34-32-51)67-53-35-39-59(40-36-53)68(54-21-11-5-12-22-54)55-23-13-6-14-24-55)64-47-62(45-46-63(64)65)70(58-37-29-50(30-38-58)49-19-9-4-10-20-49)61-43-41-60(42-44-61)69(56-25-15-7-16-26-56)57-27-17-8-18-28-57/h4-47,67H,48H2,1-3H3.
What are the key properties of 4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine?
4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine has a molecular weight of 905.20 g/mol, XLogP of 18.49, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine is sourced from PubChem (CID 175763314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).