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

C58H44N2O — CID 170299552

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)c5cccc6c5oc5ccccc56)cc4)cc32)cc1
InChIInChI=1S/C58H44N2O/c1-3-16-40(17-4-1)45-25-13-18-41-19-14-26-50(57(41)45)47-23-8-11-29-53(47)59(54-30-15-27-51-49-24-9-12-31-56(49)61-58(51)54)44-35-32-39(33-36-44)42-34-37-48-46-22-7-10-28-52(46)60(55(48)38-42)43-20-5-2-6-21-43/h2,5-15,18-38,40H,1,3-4,16-17H2
InChIKeyGCBCYGBLEZDMOF-UHFFFAOYSA-N
MW785.00 g/mol
LogP16.69
Rot. Bonds7

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine (PubChem CID 170299552) 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-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine
PubChem CID170299552
Molecular FormulaC58H44N2O
Molecular Weight785.00 g/mol
Exact Mass784.35
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)c5cccc6c5oc5ccccc56)cc4)cc32)cc1
InChIInChI=1S/C58H44N2O/c1-3-16-40(17-4-1)45-25-13-18-41-19-14-26-50(57(41)45)47-23-8-11-29-53(47)59(54-30-15-27-51-49-24-9-12-31-56(49)61-58(51)54)44-35-32-39(33-36-44)42-34-37-48-46-22-7-10-28-52(46)60(55(48)38-42)43-20-5-2-6-21-43/h2,5-15,18-38,40H,1,3-4,16-17H2
InChIKeyGCBCYGBLEZDMOF-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

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]-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-dibenzofuran-4-yl-9-phenylcarbazol-1-amine
CID 170299555
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 170297719
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297926
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 170299037
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-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine
CID 170299296
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 170303263

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine (CID 170299552) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)c5cccc6c5oc5ccccc56)cc4)cc32)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine?
The InChIKey is GCBCYGBLEZDMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2O/c1-3-16-40(17-4-1)45-25-13-18-41-19-14-26-50(57(41)45)47-23-8-11-29-53(47)59(54-30-15-27-51-49-24-9-12-31-56(49)61-58(51)54)44-35-32-39(33-36-44)42-34-37-48-46-22-7-10-28-52(46)60(55(48)38-42)43-20-5-2-6-21-43/h2,5-15,18-38,40H,1,3-4,16-17H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-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-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 170299552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).