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

C64H50N2 — CID 170297760

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2,4-diphenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C64H50N2/c1-5-21-45(22-6-1)49-41-42-62(59(44-49)47-25-9-3-10-26-47)65(60-39-15-13-33-55(60)57-37-19-28-48-27-18-35-53(63(48)57)46-23-7-2-8-24-46)52-32-17-29-50(43-52)54-36-20-38-58-56-34-14-16-40-61(56)66(64(54)58)51-30-11-4-12-31-51/h1,3-6,9-22,25-44,46H,2,7-8,23-24H2
InChIKeyQWIPBJFYMXZMHO-UHFFFAOYSA-N
MW847.12 g/mol
LogP18.12
Rot. Bonds9

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2,4-diphenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline (PubChem CID 170297760) has the molecular formula C64H50N2 and a molecular weight of 847.12 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2,4-diphenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2,4-diphenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
PubChem CID170297760
Molecular FormulaC64H50N2
Molecular Weight847.12 g/mol
Exact Mass846.40
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2,4-diphenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C64H50N2/c1-5-21-45(22-6-1)49-41-42-62(59(44-49)47-25-9-3-10-26-47)65(60-39-15-13-33-55(60)57-37-19-28-48-27-18-35-53(63(48)57)46-23-7-2-8-24-46)52-32-17-29-50(43-52)54-36-20-38-58-56-34-14-16-40-61(56)66(64(54)58)51-30-11-4-12-31-51/h1,3-6,9-22,25-44,46H,2,7-8,23-24H2
InChIKeyQWIPBJFYMXZMHO-UHFFFAOYSA-N
XLogP18.12
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.12
LogP ≤ 518.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170299372
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-phenanthren-1-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170303281
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-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 170297719
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170297632
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine
CID 170303254
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297637
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine
CID 170303260
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297926
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170304496
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-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline
CID 170304602

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2,4-diphenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2,4-diphenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline (CID 170297760) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2,4-diphenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2,4-diphenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2,4-diphenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2,4-diphenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?
The InChIKey is QWIPBJFYMXZMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50N2/c1-5-21-45(22-6-1)49-41-42-62(59(44-49)47-25-9-3-10-26-47)65(60-39-15-13-33-55(60)57-37-19-28-48-27-18-35-53(63(48)57)46-23-7-2-8-24-46)52-32-17-29-50(43-52)54-36-20-38-58-56-34-14-16-40-61(56)66(64(54)58)51-30-11-4-12-31-51/h1,3-6,9-22,25-44,46H,2,7-8,23-24H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2,4-diphenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2,4-diphenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline has a molecular weight of 847.12 g/mol, XLogP of 18.12, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2,4-diphenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline is sourced from PubChem (CID 170297760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).