N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine

C58H44N2O — CID 170299296

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine
SMILESc1ccc(-n2c3ccccc3c3c(N(c4ccccc4-c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cccc32)cc1
InChIInChI=1S/C58H44N2O/c1-3-18-39(19-4-1)44-28-15-20-40-21-16-29-48(57(40)44)45-25-8-12-31-51(45)60(50-30-11-7-24-43(50)41-36-37-47-46-26-10-14-35-55(46)61-56(47)38-41)54-34-17-33-53-58(54)49-27-9-13-32-52(49)59(53)42-22-5-2-6-23-42/h2,5-17,20-39H,1,3-4,18-19H2
InChIKeyZZPLRQROBHXCFH-UHFFFAOYSA-N
MW785.00 g/mol
LogP16.69
Rot. Bonds7

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine (PubChem CID 170299296) 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-3-ylphenyl)-9-phenylcarbazol-4-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine
PubChem CID170299296
Molecular FormulaC58H44N2O
Molecular Weight785.00 g/mol
Exact Mass784.35
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine
SMILESc1ccc(-n2c3ccccc3c3c(N(c4ccccc4-c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cccc32)cc1
InChIInChI=1S/C58H44N2O/c1-3-18-39(19-4-1)44-28-15-20-40-21-16-29-48(57(40)44)45-25-8-12-31-51(45)60(50-30-11-7-24-43(50)41-36-37-47-46-26-10-14-35-55(46)61-56(47)38-41)54-34-17-33-53-58(54)49-27-9-13-32-52(49)59(53)42-22-5-2-6-23-42/h2,5-17,20-39H,1,3-4,18-19H2
InChIKeyZZPLRQROBHXCFH-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]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine
CID 170297763
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 170299037
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 170303290
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]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline
CID 170300987
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline
CID 170296019
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170299663
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]-N-dibenzofuran-4-yl-9-phenylcarbazol-2-amine
CID 170299554
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]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 170297719

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine (CID 170299296) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine is c1ccc(-n2c3ccccc3c3c(N(c4ccccc4-c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cccc32)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine?
The InChIKey is ZZPLRQROBHXCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2O/c1-3-18-39(19-4-1)44-28-15-20-40-21-16-29-48(57(40)44)45-25-8-12-31-51(45)60(50-30-11-7-24-43(50)41-36-37-47-46-26-10-14-35-55(46)61-56(47)38-41)54-34-17-33-53-58(54)49-27-9-13-32-52(49)59(53)42-22-5-2-6-23-42/h2,5-17,20-39H,1,3-4,18-19H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-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-3-ylphenyl)-9-phenylcarbazol-4-amine is sourced from PubChem (CID 170299296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).