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

C66H50N2 — CID 170303281

IUPAC2-(8-cyclohexylnaphthalen-1-yl)-N-(3-phenanthren-1-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccccc4N(c4cccc(-c5cccc6c5ccc5ccccc56)c4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c32)cc1
InChIInChI=1S/C66H50N2/c1-3-20-45(21-4-1)53-34-16-23-47-24-17-36-59(65(47)53)56-30-9-12-39-62(56)67(50-28-15-25-48(44-50)52-33-18-35-54-51-29-8-7-22-46(51)42-43-55(52)54)63-40-13-10-31-57(63)60-37-19-38-61-58-32-11-14-41-64(58)68(66(60)61)49-26-5-2-6-27-49/h2,5-19,22-45H,1,3-4,20-21H2
InChIKeyDWXDNGKYJUXACM-UHFFFAOYSA-N
MW871.14 g/mol
LogP18.76
Rot. Bonds8

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

2-(8-cyclohexylnaphthalen-1-yl)-N-(3-phenanthren-1-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline (PubChem CID 170303281) has the molecular formula C66H50N2 and a molecular weight of 871.14 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-phenanthren-1-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(8-cyclohexylnaphthalen-1-yl)-N-(3-phenanthren-1-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline
PubChem CID170303281
Molecular FormulaC66H50N2
Molecular Weight871.14 g/mol
Exact Mass870.40
IUPAC Name2-(8-cyclohexylnaphthalen-1-yl)-N-(3-phenanthren-1-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccccc4N(c4cccc(-c5cccc6c5ccc5ccccc56)c4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c32)cc1
InChIInChI=1S/C66H50N2/c1-3-20-45(21-4-1)53-34-16-23-47-24-17-36-59(65(47)53)56-30-9-12-39-62(56)67(50-28-15-25-48(44-50)52-33-18-35-54-51-29-8-7-22-46(51)42-43-55(52)54)63-40-13-10-31-57(63)60-37-19-38-61-58-32-11-14-41-64(58)68(66(60)61)49-26-5-2-6-27-49/h2,5-19,22-45H,1,3-4,20-21H2
InChIKeyDWXDNGKYJUXACM-UHFFFAOYSA-N
XLogP18.76
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.14
LogP ≤ 518.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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]-2,4-diphenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170297760
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-phenanthren-1-yl-N-(3-phenanthren-1-ylphenyl)aniline
CID 170303020
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 170303263
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine
CID 170303260
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
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297926
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297637
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170297632
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenanthren-1-ylphenyl)aniline
CID 170303011

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-phenanthren-1-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline?
The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-phenanthren-1-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline (CID 170303281) is 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-phenanthren-1-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline.
What is the SMILES notation for 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-phenanthren-1-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline?
The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-phenanthren-1-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline is c1ccc(-n2c3ccccc3c3cccc(-c4ccccc4N(c4cccc(-c5cccc6c5ccc5ccccc56)c4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c32)cc1.
What is the InChIKey of 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-phenanthren-1-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline?
The InChIKey is DWXDNGKYJUXACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N2/c1-3-20-45(21-4-1)53-34-16-23-47-24-17-36-59(65(47)53)56-30-9-12-39-62(56)67(50-28-15-25-48(44-50)52-33-18-35-54-51-29-8-7-22-46(51)42-43-55(52)54)63-40-13-10-31-57(63)60-37-19-38-61-58-32-11-14-41-64(58)68(66(60)61)49-26-5-2-6-27-49/h2,5-19,22-45H,1,3-4,20-21H2.
What are the key properties of 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-phenanthren-1-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline?
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-phenanthren-1-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline has a molecular weight of 871.14 g/mol, XLogP of 18.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyclohexylnaphthalen-1-yl)-N-(3-phenanthren-1-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline is sourced from PubChem (CID 170303281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).