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

C64H48N2S — CID 170299372

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cccc(N(c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)c5ccccc5-c5cccc6sc7ccccc7c56)c4)c32)cc1
InChIInChI=1S/C64H48N2S/c1-3-20-43(21-4-1)48-32-16-22-44-23-17-34-53(62(44)48)50-28-7-11-37-57(50)65(58-38-12-8-29-51(58)54-35-19-41-61-63(54)56-31-10-14-40-60(56)67-61)47-27-15-24-45(42-47)49-33-18-36-55-52-30-9-13-39-59(52)66(64(49)55)46-25-5-2-6-26-46/h2,5-19,22-43H,1,3-4,20-21H2
InChIKeyCVFSRVSCBZARHM-UHFFFAOYSA-N
MW877.17 g/mol
LogP18.82
Rot. Bonds8

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline (PubChem CID 170299372) 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]-2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
PubChem CID170299372
Molecular FormulaC64H48N2S
Molecular Weight877.17 g/mol
Exact Mass876.35
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cccc(N(c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)c5ccccc5-c5cccc6sc7ccccc7c56)c4)c32)cc1
InChIInChI=1S/C64H48N2S/c1-3-20-43(21-4-1)48-32-16-22-44-23-17-34-53(62(44)48)50-28-7-11-37-57(50)65(58-38-12-8-29-51(58)54-35-19-41-61-63(54)56-31-10-14-40-60(56)67-61)47-27-15-24-45(42-47)49-33-18-36-55-52-30-9-13-39-59(52)66(64(49)55)46-25-5-2-6-26-46/h2,5-19,22-43H,1,3-4,20-21H2
InChIKeyCVFSRVSCBZARHM-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-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170299234
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2,4-diphenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170297760
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-phenanthren-1-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170303281
N-(3-dibenzothiophen-1-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298651
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine
CID 170303254
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170296068
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine
CID 170303260
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-dibenzothiophen-1-ylphenyl)aniline
CID 170300686
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170299237
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)aniline
CID 170300650
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 170297719
N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-1-ylphenyl)aniline
CID 170295795

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline (CID 170299372) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline is c1ccc(-n2c3ccccc3c3cccc(-c4cccc(N(c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)c5ccccc5-c5cccc6sc7ccccc7c56)c4)c32)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?
The InChIKey is CVFSRVSCBZARHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2S/c1-3-20-43(21-4-1)48-32-16-22-44-23-17-34-53(62(44)48)50-28-7-11-37-57(50)65(58-38-12-8-29-51(58)54-35-19-41-61-63(54)56-31-10-14-40-60(56)67-61)47-27-15-24-45(42-47)49-33-18-36-55-52-30-9-13-39-59(52)66(64(49)55)46-25-5-2-6-26-46/h2,5-19,22-43H,1,3-4,20-21H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-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 N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline is sourced from PubChem (CID 170299372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).