2-N,2-N-diphenyl-1-N,1-N-bis[2-(N-phenylanilino)-4-propan-2-ylphenyl]-4-propan-2-ylbenzene-1,2-diamine

C63H60N4 — CID 58251559

IUPAC2-N,2-N-diphenyl-1-N,1-N-bis[2-(N-phenylanilino)-4-propan-2-ylphenyl]-4-propan-2-ylbenzene-1,2-diamine
SMILESCC(C)c1ccc(N(c2ccc(C(C)C)cc2N(c2ccccc2)c2ccccc2)c2ccc(C(C)C)cc2N(c2ccccc2)c2ccccc2)c(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C63H60N4/c1-46(2)49-37-40-58(61(43-49)64(52-25-13-7-14-26-52)53-27-15-8-16-28-53)67(59-41-38-50(47(3)4)44-62(59)65(54-29-17-9-18-30-54)55-31-19-10-20-32-55)60-42-39-51(48(5)6)45-63(60)66(56-33-21-11-22-34-56)57-35-23-12-24-36-57/h7-48H,1-6H3
InChIKeyCZHVSQZTSSEKLI-UHFFFAOYSA-N
MW873.20 g/mol
LogP18.94
Rot. Bonds15

About 2-N,2-N-diphenyl-1-N,1-N-bis[2-(N-phenylanilino)-4-propan-2-ylphenyl]-4-propan-2-ylbenzene-1,2-diamine

2-N,2-N-diphenyl-1-N,1-N-bis[2-(N-phenylanilino)-4-propan-2-ylphenyl]-4-propan-2-ylbenzene-1,2-diamine (PubChem CID 58251559) has the molecular formula C63H60N4 and a molecular weight of 873.20 g/mol. Its IUPAC name is 2-N,2-N-diphenyl-1-N,1-N-bis[2-(N-phenylanilino)-4-propan-2-ylphenyl]-4-propan-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diphenyl-1-N,1-N-bis[2-(N-phenylanilino)-4-propan-2-ylphenyl]-4-propan-2-ylbenzene-1,2-diamine
PubChem CID58251559
Molecular FormulaC63H60N4
Molecular Weight873.20 g/mol
Exact Mass872.48
IUPAC Name2-N,2-N-diphenyl-1-N,1-N-bis[2-(N-phenylanilino)-4-propan-2-ylphenyl]-4-propan-2-ylbenzene-1,2-diamine
SMILESCC(C)c1ccc(N(c2ccc(C(C)C)cc2N(c2ccccc2)c2ccccc2)c2ccc(C(C)C)cc2N(c2ccccc2)c2ccccc2)c(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C63H60N4/c1-46(2)49-37-40-58(61(43-49)64(52-25-13-7-14-26-52)53-27-15-8-16-28-53)67(59-41-38-50(47(3)4)44-62(59)65(54-29-17-9-18-30-54)55-31-19-10-20-32-55)60-42-39-51(48(5)6)45-63(60)66(56-33-21-11-22-34-56)57-35-23-12-24-36-57/h7-48H,1-6H3
InChIKeyCZHVSQZTSSEKLI-UHFFFAOYSA-N
XLogP18.94
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.20
LogP ≤ 518.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline
CID 173271590
4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
CID 58596504
6-N,16-N-bis(2-methyl-5-propan-2-ylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
CID 166032949
2-[2,7-di(propan-2-yl)carbazol-9-yl]-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 177073327
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792
1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N,3,8-tetraphenyl-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
CID 158240159
6-N,17-N-diphenyl-6-N,17-N-bis(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166032069
3-methyl-N-phenyl-N-[4-[4-(N-(3-propan-2-ylphenyl)anilino)phenyl]phenyl]aniline
CID 166794561
28-N,28-N-dimethyl-13-N-phenyl-13-N-(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 164779538
N-phenyl-2-propan-2-yl-N-[4-[4-(N-(2-propan-2-ylphenyl)anilino)phenyl]phenyl]aniline
CID 19420171
N-dibenzofuran-4-yl-N-phenyl-5,17-di(propan-2-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
CID 159612332

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diphenyl-1-N,1-N-bis[2-(N-phenylanilino)-4-propan-2-ylphenyl]-4-propan-2-ylbenzene-1,2-diamine?
The IUPAC name of 2-N,2-N-diphenyl-1-N,1-N-bis[2-(N-phenylanilino)-4-propan-2-ylphenyl]-4-propan-2-ylbenzene-1,2-diamine (CID 58251559) is 2-N,2-N-diphenyl-1-N,1-N-bis[2-(N-phenylanilino)-4-propan-2-ylphenyl]-4-propan-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diphenyl-1-N,1-N-bis[2-(N-phenylanilino)-4-propan-2-ylphenyl]-4-propan-2-ylbenzene-1,2-diamine?
The canonical SMILES for 2-N,2-N-diphenyl-1-N,1-N-bis[2-(N-phenylanilino)-4-propan-2-ylphenyl]-4-propan-2-ylbenzene-1,2-diamine is CC(C)c1ccc(N(c2ccc(C(C)C)cc2N(c2ccccc2)c2ccccc2)c2ccc(C(C)C)cc2N(c2ccccc2)c2ccccc2)c(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-N,2-N-diphenyl-1-N,1-N-bis[2-(N-phenylanilino)-4-propan-2-ylphenyl]-4-propan-2-ylbenzene-1,2-diamine?
The InChIKey is CZHVSQZTSSEKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H60N4/c1-46(2)49-37-40-58(61(43-49)64(52-25-13-7-14-26-52)53-27-15-8-16-28-53)67(59-41-38-50(47(3)4)44-62(59)65(54-29-17-9-18-30-54)55-31-19-10-20-32-55)60-42-39-51(48(5)6)45-63(60)66(56-33-21-11-22-34-56)57-35-23-12-24-36-57/h7-48H,1-6H3.
What are the key properties of 2-N,2-N-diphenyl-1-N,1-N-bis[2-(N-phenylanilino)-4-propan-2-ylphenyl]-4-propan-2-ylbenzene-1,2-diamine?
2-N,2-N-diphenyl-1-N,1-N-bis[2-(N-phenylanilino)-4-propan-2-ylphenyl]-4-propan-2-ylbenzene-1,2-diamine has a molecular weight of 873.20 g/mol, XLogP of 18.94, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diphenyl-1-N,1-N-bis[2-(N-phenylanilino)-4-propan-2-ylphenyl]-4-propan-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 58251559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).