N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine

C56H49N3 — CID 168810700

IUPACN-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine
SMILESCC(c1ccc(N(c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C56H49N3/c1-41(42-26-32-49(33-27-42)57(46-18-8-3-9-19-46)50-36-30-45(31-37-50)44-16-6-2-7-17-44)43-28-34-51(35-29-43)58(47-20-10-4-11-21-47)52-38-39-54-53-24-14-15-25-55(53)59(56(54)40-52)48-22-12-5-13-23-48/h3-5,8-15,18-41,44H,2,6-7,16-17H2,1H3
InChIKeyQFRASATVJRZYRI-UHFFFAOYSA-N
MW764.03 g/mol
LogP15.92
Rot. Bonds10

About N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine

N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine (PubChem CID 168810700) has the molecular formula C56H49N3 and a molecular weight of 764.03 g/mol. Its IUPAC name is N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine.

Molecular Properties

Compound NameN-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine
PubChem CID168810700
Molecular FormulaC56H49N3
Molecular Weight764.03 g/mol
Exact Mass763.39
IUPAC NameN-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine
SMILESCC(c1ccc(N(c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C56H49N3/c1-41(42-26-32-49(33-27-42)57(46-18-8-3-9-19-46)50-36-30-45(31-37-50)44-16-6-2-7-17-44)43-28-34-51(35-29-43)58(47-20-10-4-11-21-47)52-38-39-54-53-24-14-15-25-55(53)59(56(54)40-52)48-22-12-5-13-23-48/h3-5,8-15,18-41,44H,2,6-7,16-17H2,1H3
InChIKeyQFRASATVJRZYRI-UHFFFAOYSA-N
XLogP15.92
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.03
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine with MolForge

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Related Compounds

N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine
CID 168810665
3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline
CID 164939404
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine
CID 159219717
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810687
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
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810248
N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 169028788
N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine
CID 168811896
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 164948696
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine?
The IUPAC name of N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine (CID 168810700) is N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine.
What is the SMILES notation for N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine?
The canonical SMILES for N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine is CC(c1ccc(N(c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine?
The InChIKey is QFRASATVJRZYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H49N3/c1-41(42-26-32-49(33-27-42)57(46-18-8-3-9-19-46)50-36-30-45(31-37-50)44-16-6-2-7-17-44)43-28-34-51(35-29-43)58(47-20-10-4-11-21-47)52-38-39-54-53-24-14-15-25-55(53)59(56(54)40-52)48-22-12-5-13-23-48/h3-5,8-15,18-41,44H,2,6-7,16-17H2,1H3.
What are the key properties of N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine?
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine has a molecular weight of 764.03 g/mol, XLogP of 15.92, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine is sourced from PubChem (CID 168810700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).