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

C64H48N2S — CID 170299237

IUPAC2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5cccc(-c6cccc7c6sc6ccccc67)c5)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)cc4)cccc32)cc1
InChIInChI=1S/C64H48N2S/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(49-25-13-22-46(42-49)52-31-16-33-56-54-27-9-12-37-61(54)67-64(52)56)48-40-38-44(39-41-48)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
InChIKeyPMBPEHFPPWMEOR-UHFFFAOYSA-N
MW877.17 g/mol
LogP18.82
Rot. Bonds8

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

2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline (PubChem CID 170299237) has the molecular formula C64H48N2S and a molecular weight of 877.17 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
PubChem CID170299237
Molecular FormulaC64H48N2S
Molecular Weight877.17 g/mol
Exact Mass876.35
IUPAC Name2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5cccc(-c6cccc7c6sc6ccccc67)c5)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)cc4)cccc32)cc1
InChIInChI=1S/C64H48N2S/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(49-25-13-22-46(42-49)52-31-16-33-56-54-27-9-12-37-61(54)67-64(52)56)48-40-38-44(39-41-48)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
InChIKeyPMBPEHFPPWMEOR-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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline
CID 170299224
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501679
2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170299234
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-dibenzothiophen-4-ylphenyl)-2-phenylaniline
CID 170296118
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298563
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]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170304503
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
CID 170304397
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 170303290
N-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169010108
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170304489

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline?
The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline (CID 170299237) is 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline.
What is the SMILES notation for 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline?
The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline is c1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5cccc(-c6cccc7c6sc6ccccc67)c5)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)cc4)cccc32)cc1.
What is the InChIKey of 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline?
The InChIKey is PMBPEHFPPWMEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2S/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(49-25-13-22-46(42-49)52-31-16-33-56-54-27-9-12-37-61(54)67-64(52)56)48-40-38-44(39-41-48)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-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline?
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]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 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline is sourced from PubChem (CID 170299237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).