N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine

C58H44N2O — CID 170299037

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4-c4ccc5oc6ccccc6c5c4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)ccc32)cc1
InChIInChI=1S/C58H44N2O/c1-3-17-39(18-4-1)45-27-15-19-40-20-16-28-49(58(40)45)46-24-8-12-30-53(46)60(43-34-35-55-50(38-43)47-25-9-13-31-54(47)59(55)42-21-5-2-6-22-42)52-29-11-7-23-44(52)41-33-36-57-51(37-41)48-26-10-14-32-56(48)61-57/h2,5-16,19-39H,1,3-4,17-18H2
InChIKeyDIAUEZDMDKHLCU-UHFFFAOYSA-N
MW785.00 g/mol
LogP16.69
Rot. Bonds7

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine (PubChem CID 170299037) has the molecular formula C58H44N2O and a molecular weight of 785.00 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine
PubChem CID170299037
Molecular FormulaC58H44N2O
Molecular Weight785.00 g/mol
Exact Mass784.35
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4-c4ccc5oc6ccccc6c5c4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)ccc32)cc1
InChIInChI=1S/C58H44N2O/c1-3-17-39(18-4-1)45-27-15-19-40-20-16-28-49(58(40)45)46-24-8-12-30-53(46)60(43-34-35-55-50(38-43)47-25-9-13-31-54(47)59(55)42-21-5-2-6-22-42)52-29-11-7-23-44(52)41-33-36-57-51(37-41)48-26-10-14-32-56(48)61-57/h2,5-16,19-39H,1,3-4,17-18H2
InChIKeyDIAUEZDMDKHLCU-UHFFFAOYSA-N
XLogP16.69
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.00
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170299509
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 170299185
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine
CID 170299296
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine
CID 170300874
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-dibenzofuran-4-yl-9-phenylcarbazol-2-amine
CID 170299554
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine
CID 170299552
2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170299090
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 170297719
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-ylaniline
CID 170295801
N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170295839
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170299163
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 170300560

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine (CID 170299037) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccccc4-c4ccc5oc6ccccc6c5c4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)ccc32)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine?
The InChIKey is DIAUEZDMDKHLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2O/c1-3-17-39(18-4-1)45-27-15-19-40-20-16-28-49(58(40)45)46-24-8-12-30-53(46)60(43-34-35-55-50(38-43)47-25-9-13-31-54(47)59(55)42-21-5-2-6-22-42)52-29-11-7-23-44(52)41-33-36-57-51(37-41)48-26-10-14-32-56(48)61-57/h2,5-16,19-39H,1,3-4,17-18H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine has a molecular weight of 785.00 g/mol, XLogP of 16.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 170299037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).