3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine

C60H50N4 — CID 177275872

IUPAC3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3cccc(N(c4ccccc4)c4ccc(C5CCCCC5)cc4)c3)c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C60H50N4/c1-6-21-45(22-7-1)46-39-41-51(42-40-46)62(49-27-12-4-13-28-49)53-32-19-34-55(44-53)63(54-33-18-31-52(43-54)61(47-23-8-2-9-24-47)48-25-10-3-11-26-48)58-37-20-38-59-60(58)56-35-16-17-36-57(56)64(59)50-29-14-5-15-30-50/h2-5,8-20,23-45H,1,6-7,21-22H2
InChIKeyCVPRNYXUDNOXLW-UHFFFAOYSA-N
MW827.09 g/mol
LogP17.24
Rot. Bonds11

About 3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine

3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine (PubChem CID 177275872) has the molecular formula C60H50N4 and a molecular weight of 827.09 g/mol. Its IUPAC name is 3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine
PubChem CID177275872
Molecular FormulaC60H50N4
Molecular Weight827.09 g/mol
Exact Mass826.40
IUPAC Name3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3cccc(N(c4ccccc4)c4ccc(C5CCCCC5)cc4)c3)c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C60H50N4/c1-6-21-45(22-7-1)46-39-41-51(42-40-46)62(49-27-12-4-13-28-49)53-32-19-34-55(44-53)63(54-33-18-31-52(43-54)61(47-23-8-2-9-24-47)48-25-10-3-11-26-48)58-37-20-38-59-60(58)56-35-16-17-36-57(56)64(59)50-29-14-5-15-30-50/h2-5,8-20,23-45H,1,6-7,21-22H2
InChIKeyCVPRNYXUDNOXLW-UHFFFAOYSA-N
XLogP17.24
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.09
LogP ≤ 517.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline
CID 164939404
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 168810700
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810687
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine
CID 168810665
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine
CID 159219717
N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 169028788
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810248
9-(3-cyclopentylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 168805817
(3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170780015
18-N-[2-(4-cyclohexylphenyl)phenyl]-3-N,18-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404182
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-4-amine
CID 174257716
N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028413

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine?
The IUPAC name of 3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine (CID 177275872) is 3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cccc(N(c3cccc(N(c4ccccc4)c4ccc(C5CCCCC5)cc4)c3)c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine?
The InChIKey is CVPRNYXUDNOXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50N4/c1-6-21-45(22-7-1)46-39-41-51(42-40-46)62(49-27-12-4-13-28-49)53-32-19-34-55(44-53)63(54-33-18-31-52(43-54)61(47-23-8-2-9-24-47)48-25-10-3-11-26-48)58-37-20-38-59-60(58)56-35-16-17-36-57(56)64(59)50-29-14-5-15-30-50/h2-5,8-20,23-45H,1,6-7,21-22H2.
What are the key properties of 3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine?
3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine has a molecular weight of 827.09 g/mol, XLogP of 17.24, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine is sourced from PubChem (CID 177275872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).