1-N,4-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine

C50H60N2 — CID 142500399

IUPAC1-N,4-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
SMILESCc1ccc(N(c2ccc(N(c3ccc(C)cc3)c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)cc2)c2ccc3c(c2)C(C)(C)C(C)(C)C3(C)C)cc1
InChIInChI=1S/C50H60N2/c1-33-15-19-35(20-16-33)51(39-27-29-41-43(31-39)47(7,8)49(11,12)45(41,3)4)37-23-25-38(26-24-37)52(36-21-17-34(2)18-22-36)40-28-30-42-44(32-40)48(9,10)50(13,14)46(42,5)6/h15-32H,1-14H3
InChIKeyIPNROSJLKOLTCT-UHFFFAOYSA-N
MW689.04 g/mol
LogP14.43
Rot. Bonds6

About 1-N,4-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine

1-N,4-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine (PubChem CID 142500399) has the molecular formula C50H60N2 and a molecular weight of 689.04 g/mol. Its IUPAC name is 1-N,4-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
PubChem CID142500399
Molecular FormulaC50H60N2
Molecular Weight689.04 g/mol
Exact Mass688.48
IUPAC Name1-N,4-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
SMILESCc1ccc(N(c2ccc(N(c3ccc(C)cc3)c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)cc2)c2ccc3c(c2)C(C)(C)C(C)(C)C3(C)C)cc1
InChIInChI=1S/C50H60N2/c1-33-15-19-35(20-16-33)51(39-27-29-41-43(31-39)47(7,8)49(11,12)45(41,3)4)37-23-25-38(26-24-37)52(36-21-17-34(2)18-22-36)40-28-30-42-44(32-40)48(9,10)50(13,14)46(42,5)6/h15-32H,1-14H3
InChIKeyIPNROSJLKOLTCT-UHFFFAOYSA-N
XLogP14.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.04
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline
CID 142500857
2-N,7-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-2-N,7-N-diphenylphenanthrene-2,7-diamine
CID 142500491
ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline
CID 142500208
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
CID 59800971
6-methoxy-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 137436609
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
N-[4-[3-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177084420
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
9,9-dimethyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)fluoren-3-amine
CID 71249366
4-N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-4-N-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-4-(4-methyl-N-(4-methylphenyl)anilino)anilino]phenyl]-1-N,1-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 144971641

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine (CID 142500399) is 1-N,4-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine is Cc1ccc(N(c2ccc(N(c3ccc(C)cc3)c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)cc2)c2ccc3c(c2)C(C)(C)C(C)(C)C3(C)C)cc1.
What is the InChIKey of 1-N,4-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine?
The InChIKey is IPNROSJLKOLTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H60N2/c1-33-15-19-35(20-16-33)51(39-27-29-41-43(31-39)47(7,8)49(11,12)45(41,3)4)37-23-25-38(26-24-37)52(36-21-17-34(2)18-22-36)40-28-30-42-44(32-40)48(9,10)50(13,14)46(42,5)6/h15-32H,1-14H3.
What are the key properties of 1-N,4-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine?
1-N,4-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine has a molecular weight of 689.04 g/mol, XLogP of 14.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 142500399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).