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

C64H48N2S — CID 170299224

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccccc4N(c4ccccc4-c4cccc5c4sc4ccccc45)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cccc32)cc1
InChIInChI=1S/C64H48N2S/c1-3-21-43(22-4-1)46-32-17-23-44-24-18-33-51(62(44)46)47-27-7-12-37-56(47)66(58-39-14-9-29-49(58)53-35-19-36-54-50-30-11-16-42-61(50)67-64(53)54)57-38-13-8-28-48(57)52-34-20-41-60-63(52)55-31-10-15-40-59(55)65(60)45-25-5-2-6-26-45/h2,5-20,23-43H,1,3-4,21-22H2
InChIKeyVINHSQYMBGLQHX-UHFFFAOYSA-N
MW877.17 g/mol
LogP18.82
Rot. Bonds8

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline (PubChem CID 170299224) has the molecular formula C64H48N2S and a molecular weight of 877.17 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline
PubChem CID170299224
Molecular FormulaC64H48N2S
Molecular Weight877.17 g/mol
Exact Mass876.35
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccccc4N(c4ccccc4-c4cccc5c4sc4ccccc45)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cccc32)cc1
InChIInChI=1S/C64H48N2S/c1-3-21-43(22-4-1)46-32-17-23-44-24-18-33-51(62(44)46)47-27-7-12-37-56(47)66(58-39-14-9-29-49(58)53-35-19-36-54-50-30-11-16-42-61(50)67-64(53)54)57-38-13-8-28-48(57)52-34-20-41-60-63(52)55-31-10-15-40-59(55)65(60)45-25-5-2-6-26-45/h2,5-20,23-43H,1,3-4,21-22H2
InChIKeyVINHSQYMBGLQHX-UHFFFAOYSA-N
XLogP18.82
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.17
LogP ≤ 518.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-methyl-2-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]dibenzothiophen-4-amine
CID 170299200
2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170299234
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine
CID 170297763
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-naphthalen-1-yldibenzothiophen-4-amine
CID 170300950
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-phenylaniline
CID 170296118
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine
CID 170297990
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
CID 170302928
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170299372
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-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine
CID 170300822

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline (CID 170299224) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline is c1ccc(-n2c3ccccc3c3c(-c4ccccc4N(c4ccccc4-c4cccc5c4sc4ccccc45)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cccc32)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline?
The InChIKey is VINHSQYMBGLQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2S/c1-3-21-43(22-4-1)46-32-17-23-44-24-18-33-51(62(44)46)47-27-7-12-37-56(47)66(58-39-14-9-29-49(58)53-35-19-36-54-50-30-11-16-42-61(50)67-64(53)54)57-38-13-8-28-48(57)52-34-20-41-60-63(52)55-31-10-15-40-59(55)65(60)45-25-5-2-6-26-45/h2,5-20,23-43H,1,3-4,21-22H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline has a molecular weight of 877.17 g/mol, XLogP of 18.82, 8 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-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline is sourced from PubChem (CID 170299224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).