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

C64H48N2O — CID 170299663

IUPAC2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)c4)cccc32)cc1
InChIInChI=1S/C64H48N2O/c1-3-18-43(19-4-1)50-29-14-20-45-21-15-32-55(62(45)50)53-26-7-10-34-58(53)65(48-40-38-44(39-41-48)52-31-16-33-56-54-27-9-12-37-61(54)67-64(52)56)49-25-13-22-46(42-49)51-30-17-36-60-63(51)57-28-8-11-35-59(57)66(60)47-23-5-2-6-24-47/h2,5-17,20-43H,1,3-4,18-19H2
InChIKeyUXSXLPZNNVYQON-UHFFFAOYSA-N
MW861.10 g/mol
LogP18.35
Rot. Bonds8

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

2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline (PubChem CID 170299663) has the molecular formula C64H48N2O and a molecular weight of 861.10 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
PubChem CID170299663
Molecular FormulaC64H48N2O
Molecular Weight861.10 g/mol
Exact Mass860.38
IUPAC Name2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)c4)cccc32)cc1
InChIInChI=1S/C64H48N2O/c1-3-18-43(19-4-1)50-29-14-20-45-21-15-32-55(62(45)50)53-26-7-10-34-58(53)65(48-40-38-44(39-41-48)52-31-16-33-56-54-27-9-12-37-61(54)67-64(52)56)49-25-13-22-46(42-49)51-30-17-36-60-63(51)57-28-8-11-35-59(57)66(60)47-23-5-2-6-24-47/h2,5-17,20-43H,1,3-4,18-19H2
InChIKeyUXSXLPZNNVYQON-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-(3-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170299163
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-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170299237
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-3-ylphenyl)-9-phenylcarbazol-4-amine
CID 170299296
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302915
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 170299037
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170300908
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170304503
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737568

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline?
The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline (CID 170299663) is 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline.
What is the SMILES notation for 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline?
The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline is c1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)c4)cccc32)cc1.
What is the InChIKey of 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline?
The InChIKey is UXSXLPZNNVYQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2O/c1-3-18-43(19-4-1)50-29-14-20-45-21-15-32-55(62(45)50)53-26-7-10-34-58(53)65(48-40-38-44(39-41-48)52-31-16-33-56-54-27-9-12-37-61(54)67-64(52)56)49-25-13-22-46(42-49)51-30-17-36-60-63(51)57-28-8-11-35-59(57)66(60)47-23-5-2-6-24-47/h2,5-17,20-43H,1,3-4,18-19H2.
What are the key properties of 2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline?
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-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-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline is sourced from PubChem (CID 170299663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).