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

C60H46N2 — CID 170303263

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5cccc6c5ccc5ccccc56)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc32)cc1
InChIInChI=1S/C60H46N2/c1-3-16-41(17-4-1)50-27-13-19-44-20-14-29-56(60(44)50)54-25-10-11-30-57(54)61(47-37-39-55-53-24-9-12-31-58(53)62(59(55)40-47)45-21-5-2-6-22-45)46-35-32-43(33-36-46)49-26-15-28-51-48-23-8-7-18-42(48)34-38-52(49)51/h2,5-15,18-41H,1,3-4,16-17H2
InChIKeyKQYWJHPTYGECGT-UHFFFAOYSA-N
MW795.04 g/mol
LogP17.09
Rot. Bonds7

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine (PubChem CID 170303263) has the molecular formula C60H46N2 and a molecular weight of 795.04 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine
PubChem CID170303263
Molecular FormulaC60H46N2
Molecular Weight795.04 g/mol
Exact Mass794.37
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5cccc6c5ccc5ccccc56)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc32)cc1
InChIInChI=1S/C60H46N2/c1-3-16-41(17-4-1)50-27-13-19-44-20-14-29-56(60(44)50)54-25-10-11-30-57(54)61(47-37-39-55-53-24-9-12-31-58(53)62(59(55)40-47)45-21-5-2-6-22-45)46-35-32-43(33-36-46)49-26-15-28-51-48-23-8-7-18-42(48)34-38-52(49)51/h2,5-15,18-41H,1,3-4,16-17H2
InChIKeyKQYWJHPTYGECGT-UHFFFAOYSA-N
XLogP17.09
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.04
LogP ≤ 517.09
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]-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
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-phenanthren-1-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170303281
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 170299185
N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 169028788
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-dibenzofuran-4-yl-9-phenylcarbazol-2-amine
CID 170299554
5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297549
3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297982
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170299163
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-naphthalen-2-yl-9-phenylcarbazol-1-amine
CID 170303260

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine (CID 170303263) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5cccc6c5ccc5ccccc56)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc32)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine?
The InChIKey is KQYWJHPTYGECGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2/c1-3-16-41(17-4-1)50-27-13-19-44-20-14-29-56(60(44)50)54-25-10-11-30-57(54)61(47-37-39-55-53-24-9-12-31-58(53)62(59(55)40-47)45-21-5-2-6-22-45)46-35-32-43(33-36-46)49-26-15-28-51-48-23-8-7-18-42(48)34-38-52(49)51/h2,5-15,18-41H,1,3-4,16-17H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine has a molecular weight of 795.04 g/mol, XLogP of 17.09, 7 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]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 170303263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).