N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-3-amine

C67H54N2 — CID 164774791

IUPACN-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3-c3ccccc3)c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc4ccccc34)ccc21
InChIInChI=1S/C67H54N2/c1-67(2)61-28-16-14-26-56(61)60-44-53(37-40-62(60)67)69(64-41-36-50(42-59(64)48-20-8-4-9-21-48)47-32-30-46(31-33-47)45-18-6-3-7-19-45)66-54-25-13-12-22-49(54)34-38-55(66)51-35-39-58-57-27-15-17-29-63(57)68(65(58)43-51)52-23-10-5-11-24-52/h4-5,8-17,20-45H,3,6-7,18-19H2,1-2H3
InChIKeyJWPPGWIBQCVVDJ-UHFFFAOYSA-N
MW887.18 g/mol
LogP18.76
Rot. Bonds8

About N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-3-amine

N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-3-amine (PubChem CID 164774791) has the molecular formula C67H54N2 and a molecular weight of 887.18 g/mol. Its IUPAC name is N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-3-amine.

Molecular Properties

Compound NameN-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-3-amine
PubChem CID164774791
Molecular FormulaC67H54N2
Molecular Weight887.18 g/mol
Exact Mass886.43
IUPAC NameN-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3-c3ccccc3)c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc4ccccc34)ccc21
InChIInChI=1S/C67H54N2/c1-67(2)61-28-16-14-26-56(61)60-44-53(37-40-62(60)67)69(64-41-36-50(42-59(64)48-20-8-4-9-21-48)47-32-30-46(31-33-47)45-18-6-3-7-19-45)66-54-25-13-12-22-49(54)34-38-55(66)51-35-39-58-57-27-15-17-29-63(57)68(65(58)43-51)52-23-10-5-11-24-52/h4-5,8-17,20-45H,3,6-7,18-19H2,1-2H3
InChIKeyJWPPGWIBQCVVDJ-UHFFFAOYSA-N
XLogP18.76
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.18
LogP ≤ 518.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine
CID 164774305
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)naphthalen-2-yl]fluoren-2-amine
CID 164774646
N-[1-[9-(3-cyclohexylphenyl)carbazol-3-yl]naphthalen-2-yl]-N-(3,5-dicyclohexylphenyl)-9,9-dimethylfluoren-3-amine;N-(3-cyclohexylphenyl)-N-[1-[9-(4-cyclohexylphenyl)carbazol-3-yl]naphthalen-2-yl]-9,9-dimethylfluoren-3-amine;N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-[1-(9-phenylcarbazol-2-yl)naphthalen-2-yl]fluoren-3-amine
CID 165072405
9-[4-(4-cyclohexylphenyl)phenyl]-N-(2,4-diphenylphenyl)-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine
CID 177128271
N-[1-(3-carbazol-9-ylphenyl)-6-cyclohexylnaphthalen-2-yl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-3-amine;N-[1-(4-carbazol-9-ylphenyl)naphthalen-2-yl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-3-amine;N-[1-(4-carbazol-9-ylphenyl)naphthalen-2-yl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-3-amine
CID 165101345
N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
CID 164774060
N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 164774604
N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 169028788
N-[1-(3-carbazol-9-ylphenyl)naphthalen-2-yl]-5-cyclohexyl-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-3-amine
CID 164774878
N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine
CID 171438871
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168790396
4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-2-yl)fluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-2-yl)naphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 161359621

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-3-amine?
The IUPAC name of N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-3-amine (CID 164774791) is N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-3-amine.
What is the SMILES notation for N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-3-amine?
The canonical SMILES for N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3-c3ccccc3)c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc4ccccc34)ccc21.
What is the InChIKey of N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-3-amine?
The InChIKey is JWPPGWIBQCVVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H54N2/c1-67(2)61-28-16-14-26-56(61)60-44-53(37-40-62(60)67)69(64-41-36-50(42-59(64)48-20-8-4-9-21-48)47-32-30-46(31-33-47)45-18-6-3-7-19-45)66-54-25-13-12-22-49(54)34-38-55(66)51-35-39-58-57-27-15-17-29-63(57)68(65(58)43-51)52-23-10-5-11-24-52/h4-5,8-17,20-45H,3,6-7,18-19H2,1-2H3.
What are the key properties of N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-3-amine?
N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-3-amine has a molecular weight of 887.18 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 N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-3-amine is sourced from PubChem (CID 164774791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).