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

C64H48N2O — CID 170299163

IUPAC2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5cccc(-c6cccc7c6oc6ccccc67)c5)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)cc4)cc32)cc1
InChIInChI=1S/C64H48N2O/c1-3-17-44(18-4-1)51-28-14-19-45-20-15-30-57(63(45)51)54-26-8-10-32-59(54)65(50-24-13-21-47(41-50)52-29-16-31-58-56-27-9-12-34-62(56)67-64(52)58)49-38-35-43(36-39-49)46-37-40-55-53-25-7-11-33-60(53)66(61(55)42-46)48-22-5-2-6-23-48/h2,5-16,19-42,44H,1,3-4,17-18H2
InChIKeyDBYCGQIOFXQUQA-UHFFFAOYSA-N
MW861.10 g/mol
LogP18.35
Rot. Bonds8

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

2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline (PubChem CID 170299163) has the molecular formula C64H48N2O and a molecular weight of 861.10 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
PubChem CID170299163
Molecular FormulaC64H48N2O
Molecular Weight861.10 g/mol
Exact Mass860.38
IUPAC Name2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5cccc(-c6cccc7c6oc6ccccc67)c5)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)cc4)cc32)cc1
InChIInChI=1S/C64H48N2O/c1-3-17-44(18-4-1)51-28-14-19-45-20-15-30-57(63(45)51)54-26-8-10-32-59(54)65(50-24-13-21-47(41-50)52-29-16-31-58-56-27-9-12-34-62(56)67-64(52)58)49-38-35-43(36-39-49)46-37-40-55-53-25-7-11-33-60(53)66(61(55)42-46)48-22-5-2-6-23-48/h2,5-16,19-42,44H,1,3-4,17-18H2
InChIKeyDBYCGQIOFXQUQA-UHFFFAOYSA-N
XLogP18.35
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.10
LogP ≤ 518.35
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
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
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-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-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298522
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
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 170303263
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine
CID 170299296

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline (CID 170299163) is 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline.
What is the SMILES notation for 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5cccc(-c6cccc7c6oc6ccccc67)c5)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)cc4)cc32)cc1.
What is the InChIKey of 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
The InChIKey is DBYCGQIOFXQUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2O/c1-3-17-44(18-4-1)51-28-14-19-45-20-15-30-57(63(45)51)54-26-8-10-32-59(54)65(50-24-13-21-47(41-50)52-29-16-31-58-56-27-9-12-34-62(56)67-64(52)58)49-38-35-43(36-39-49)46-37-40-55-53-25-7-11-33-60(53)66(61(55)42-46)48-22-5-2-6-23-48/h2,5-16,19-42,44H,1,3-4,17-18H2.
What are the key properties of 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline has a molecular weight of 861.10 g/mol, XLogP of 18.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline is sourced from PubChem (CID 170299163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).