N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine

C61H49NO — CID 164774604

IUPACN-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3-c3ccccc3)c3cc4ccccc4cc3-c3ccc4c(c3)oc3ccccc34)ccc21
InChIInChI=1S/C61H49NO/c1-61(2)55-23-13-11-21-49(55)54-39-48(31-33-56(54)61)62(57-34-30-46(36-52(57)43-17-7-4-8-18-43)42-27-25-41(26-28-42)40-15-5-3-6-16-40)58-37-45-20-10-9-19-44(45)35-53(58)47-29-32-51-50-22-12-14-24-59(50)63-60(51)38-47/h4,7-14,17-40H,3,5-6,15-16H2,1-2H3
InChIKeyMROPPLBARBAVLT-UHFFFAOYSA-N
MW812.07 g/mol
LogP17.56
Rot. Bonds7

About N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine

N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine (PubChem CID 164774604) has the molecular formula C61H49NO and a molecular weight of 812.07 g/mol. Its IUPAC name is N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
PubChem CID164774604
Molecular FormulaC61H49NO
Molecular Weight812.07 g/mol
Exact Mass811.38
IUPAC NameN-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3-c3ccccc3)c3cc4ccccc4cc3-c3ccc4c(c3)oc3ccccc34)ccc21
InChIInChI=1S/C61H49NO/c1-61(2)55-23-13-11-21-49(55)54-39-48(31-33-56(54)61)62(57-34-30-46(36-52(57)43-17-7-4-8-18-43)42-27-25-41(26-28-42)40-15-5-3-6-16-40)58-37-45-20-10-9-19-44(45)35-53(58)47-29-32-51-50-22-12-14-24-59(50)63-60(51)38-47/h4,7-14,17-40H,3,5-6,15-16H2,1-2H3
InChIKeyMROPPLBARBAVLT-UHFFFAOYSA-N
XLogP17.56
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.07
LogP ≤ 517.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyclohexyl-2-phenylphenyl)-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine;N-[4-(4-cyclohexylphenyl)phenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine;N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
CID 165016465
N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine
CID 164774322
1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzofuran-4-amine
CID 164774372
N-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 164774948
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenylaniline
CID 168839392
N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-3-amine
CID 164774791
N-(4-cyclohexyl-2-phenylphenyl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
CID 164774060
1-N-(4-cyclohexylphenyl)-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-3-N-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 176611782
N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 164774121
N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine
CID 171438871
8-cyclohexyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine;N-(8-cyclohexyl-1-naphthalen-1-ylnaphthalen-2-yl)-N-(2,6-diphenylphenyl)dibenzofuran-3-amine;4-(4-cyclohexylphenyl)-N-(9,9-dimethylfluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine
CID 164984159
1-N-(4-cyclohexylphenyl)-1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-2-yl-4-N-(3-phenylnaphthalen-2-yl)benzene-1,4-diamine
CID 176611704

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine (CID 164774604) is N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3-c3ccccc3)c3cc4ccccc4cc3-c3ccc4c(c3)oc3ccccc34)ccc21.
What is the InChIKey of N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
The InChIKey is MROPPLBARBAVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49NO/c1-61(2)55-23-13-11-21-49(55)54-39-48(31-33-56(54)61)62(57-34-30-46(36-52(57)43-17-7-4-8-18-43)42-27-25-41(26-28-42)40-15-5-3-6-16-40)58-37-45-20-10-9-19-44(45)35-53(58)47-29-32-51-50-22-12-14-24-59(50)63-60(51)38-47/h4,7-14,17-40H,3,5-6,15-16H2,1-2H3.
What are the key properties of N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine has a molecular weight of 812.07 g/mol, XLogP of 17.56, 7 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]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 164774604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).