1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine

C122H108N8 — CID 160529888

IUPAC1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine
SMILESCN(c1ccc(-c2ccccc2)cc1)c1ccccc1N(c1ccccc1)c1ccccc1.CN(c1ccc(C(C)(C)C)cc1)c1ccccc1N(c1ccccc1)c1ccccc1.CN(c1cccc(-c2ccccc2)c1)c1ccccc1N(c1ccccc1)c1ccccc1.CN(c1ccccc1-c1ccccc1)c1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/3C31H26N2.C29H30N2/c1-32(29-22-12-11-21-28(29)25-15-5-2-6-16-25)30-23-13-14-24-31(30)33(26-17-7-3-8-18-26)27-19-9-4-10-20-27;1-32(29-21-13-16-26(24-29)25-14-5-2-6-15-25)30-22-11-12-23-31(30)33(27-17-7-3-8-18-27)28-19-9-4-10-20-28;1-32(27-23-21-26(22-24-27)25-13-5-2-6-14-25)30-19-11-12-20-31(30)33(28-15-7-3-8-16-28)29-17-9-4-10-18-29;1-29(2,3)23-19-21-24(22-20-23)30(4)27-17-11-12-18-28(27)31(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h3*2-24H,1H3;5-22H,1-4H3
InChIKeyQVKBOYCVHVHWDH-UHFFFAOYSA-N
MW1686.26 g/mol
LogP34.00
Rot. Bonds23

About 1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine

1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine (PubChem CID 160529888) has the molecular formula C122H108N8 and a molecular weight of 1686.26 g/mol. Its IUPAC name is 1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine
PubChem CID160529888
Molecular FormulaC122H108N8
Molecular Weight1686.26 g/mol
Exact Mass1684.87
IUPAC Name1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine
SMILESCN(c1ccc(-c2ccccc2)cc1)c1ccccc1N(c1ccccc1)c1ccccc1.CN(c1ccc(C(C)(C)C)cc1)c1ccccc1N(c1ccccc1)c1ccccc1.CN(c1cccc(-c2ccccc2)c1)c1ccccc1N(c1ccccc1)c1ccccc1.CN(c1ccccc1-c1ccccc1)c1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/3C31H26N2.C29H30N2/c1-32(29-22-12-11-21-28(29)25-15-5-2-6-16-25)30-23-13-14-24-31(30)33(26-17-7-3-8-18-26)27-19-9-4-10-20-27;1-32(29-21-13-16-26(24-29)25-14-5-2-6-15-25)30-22-11-12-23-31(30)33(27-17-7-3-8-18-27)28-19-9-4-10-20-28;1-32(27-23-21-26(22-24-27)25-13-5-2-6-14-25)30-19-11-12-20-31(30)33(28-15-7-3-8-16-28)29-17-9-4-10-18-29;1-29(2,3)23-19-21-24(22-20-23)30(4)27-17-11-12-18-28(27)31(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h3*2-24H,1H3;5-22H,1-4H3
InChIKeyQVKBOYCVHVHWDH-UHFFFAOYSA-N
XLogP34.00
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001686.26
LogP ≤ 534.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine with MolForge

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Related Compounds

1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine;1-N-methyl-1-N-naphthalen-2-yl-2-N,2-N-diphenylbenzene-1,2-diamine
CID 158025779
N-(4-tert-butylphenyl)-3-carbazol-9-yl-N-methylaniline;3-carbazol-9-yl-N-methyl-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-methyl-2-phenylaniline;N-(3-carbazol-9-ylphenyl)-N-methyl-3-phenylaniline
CID 158008301
N-(4-tert-butylphenyl)-N-[4-[2,3-dimethyl-3-(3-phenylphenyl)butan-2-yl]phenyl]-2-phenylaniline
CID 134313575
16-(4-tert-butylphenyl)-N-phenyl-N-(2-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032691
1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine
CID 58903662
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
N-methyl-N,2-bis(4-phenylphenyl)aniline;propane
CID 145370298
5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 166011294
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
N-methyl-N-phenyl-3-(3-phenylphenyl)aniline;N-methyl-N-phenyl-3-(4-phenylphenyl)aniline;N-methyl-N-phenyl-4-(2-phenylphenyl)aniline;N-methyl-N-phenyl-4-(3-phenylphenyl)aniline
CID 158130832
7-N-[2-(4-tert-butylphenyl)phenyl]-7-N-phenyl-17-N-(2-phenylphenyl)-17-N-(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753229
N-methyl-N-(3-naphthalen-2-ylphenyl)-2-phenylaniline
CID 163929020

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine?
The IUPAC name of 1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine (CID 160529888) is 1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine is CN(c1ccc(-c2ccccc2)cc1)c1ccccc1N(c1ccccc1)c1ccccc1.CN(c1ccc(C(C)(C)C)cc1)c1ccccc1N(c1ccccc1)c1ccccc1.CN(c1cccc(-c2ccccc2)c1)c1ccccc1N(c1ccccc1)c1ccccc1.CN(c1ccccc1-c1ccccc1)c1ccccc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine?
The InChIKey is QVKBOYCVHVHWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C31H26N2.C29H30N2/c1-32(29-22-12-11-21-28(29)25-15-5-2-6-16-25)30-23-13-14-24-31(30)33(26-17-7-3-8-18-26)27-19-9-4-10-20-27;1-32(29-21-13-16-26(24-29)25-14-5-2-6-15-25)30-22-11-12-23-31(30)33(27-17-7-3-8-18-27)28-19-9-4-10-20-28;1-32(27-23-21-26(22-24-27)25-13-5-2-6-14-25)30-19-11-12-20-31(30)33(28-15-7-3-8-16-28)29-17-9-4-10-18-29;1-29(2,3)23-19-21-24(22-20-23)30(4)27-17-11-12-18-28(27)31(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h3*2-24H,1H3;5-22H,1-4H3.
What are the key properties of 1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine?
1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine has a molecular weight of 1686.26 g/mol, XLogP of 34.00, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 160529888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).