N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine

C64H59N3 — CID 168810248

IUPACN-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C64H59N3/c1-5-15-47(16-6-1)48-25-31-56(32-26-48)65(53-17-7-2-8-18-53)57-33-27-49(28-34-57)64(51-40-45-39-46(42-51)43-52(64)41-45)50-29-35-58(36-30-50)66(54-19-9-3-10-20-54)59-37-38-63-61(44-59)60-23-13-14-24-62(60)67(63)55-21-11-4-12-22-55/h2-4,7-14,17-38,44-47,51-52H,1,5-6,15-16,39-43H2
InChIKeyMWDMZJPRJDMYFO-UHFFFAOYSA-N
MW870.20 g/mol
LogP17.51
Rot. Bonds10

About N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine

N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine (PubChem CID 168810248) has the molecular formula C64H59N3 and a molecular weight of 870.20 g/mol. Its IUPAC name is N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine
PubChem CID168810248
Molecular FormulaC64H59N3
Molecular Weight870.20 g/mol
Exact Mass869.47
IUPAC NameN-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C64H59N3/c1-5-15-47(16-6-1)48-25-31-56(32-26-48)65(53-17-7-2-8-18-53)57-33-27-49(28-34-57)64(51-40-45-39-46(42-51)43-52(64)41-45)50-29-35-58(36-30-50)66(54-19-9-3-10-20-54)59-37-38-63-61(44-59)60-23-13-14-24-62(60)67(63)55-21-11-4-12-22-55/h2-4,7-14,17-38,44-47,51-52H,1,5-6,15-16,39-43H2
InChIKeyMWDMZJPRJDMYFO-UHFFFAOYSA-N
XLogP17.51
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.20
LogP ≤ 517.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810687
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine
CID 159219717
N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine
CID 168810264
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-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 168810700
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine
CID 168810688
3-N-[3-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275902
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine
CID 168810623
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
(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
N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine (CID 168810248) is N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine is c1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)C4CC5CC(C4)CC3C5)cc2)cc1.
What is the InChIKey of N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is MWDMZJPRJDMYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H59N3/c1-5-15-47(16-6-1)48-25-31-56(32-26-48)65(53-17-7-2-8-18-53)57-33-27-49(28-34-57)64(51-40-45-39-46(42-51)43-52(64)41-45)50-29-35-58(36-30-50)66(54-19-9-3-10-20-54)59-37-38-63-61(44-59)60-23-13-14-24-62(60)67(63)55-21-11-4-12-22-55/h2-4,7-14,17-38,44-47,51-52H,1,5-6,15-16,39-43H2.
What are the key properties of N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine?
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 870.20 g/mol, XLogP of 17.51, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 168810248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).