N-(3-cyclohexylnaphthalen-1-yl)-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine

C55H47N — CID 168771662

IUPACN-(3-cyclohexylnaphthalen-1-yl)-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)c3cc(C4CCCCC4)cc4ccccc34)cc21
InChIInChI=1S/C55H47N/c1-55(2)51-28-15-14-25-49(51)50-34-33-45(37-52(50)55)56(53-36-43(38-17-6-3-7-18-38)35-42-23-12-13-24-46(42)53)44-31-29-41(30-32-44)54-47(39-19-8-4-9-20-39)26-16-27-48(54)40-21-10-5-11-22-40/h4-5,8-16,19-38H,3,6-7,17-18H2,1-2H3
InChIKeyARHLKCLDPCIHNN-UHFFFAOYSA-N
MW721.99 g/mol
LogP15.66
Rot. Bonds7

About N-(3-cyclohexylnaphthalen-1-yl)-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine

N-(3-cyclohexylnaphthalen-1-yl)-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 168771662) has the molecular formula C55H47N and a molecular weight of 721.99 g/mol. Its IUPAC name is N-(3-cyclohexylnaphthalen-1-yl)-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(3-cyclohexylnaphthalen-1-yl)-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID168771662
Molecular FormulaC55H47N
Molecular Weight721.99 g/mol
Exact Mass721.37
IUPAC NameN-(3-cyclohexylnaphthalen-1-yl)-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)c3cc(C4CCCCC4)cc4ccccc34)cc21
InChIInChI=1S/C55H47N/c1-55(2)51-28-15-14-25-49(51)50-34-33-45(37-52(50)55)56(53-36-43(38-17-6-3-7-18-38)35-42-23-12-13-24-46(42)53)44-31-29-41(30-32-44)54-47(39-19-8-4-9-20-39)26-16-27-48(54)40-21-10-5-11-22-40/h4-5,8-16,19-38H,3,6-7,17-18H2,1-2H3
InChIKeyARHLKCLDPCIHNN-UHFFFAOYSA-N
XLogP15.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.99
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168771754
N-[2-(2-cyclohexylphenyl)phenyl]-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771699
3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine
CID 177286665
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060419
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)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783
N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine
CID 171438871
7-cyclohexyl-9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285409
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171438963
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylnaphthalen-1-yl)-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(3-cyclohexylnaphthalen-1-yl)-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine (CID 168771662) is N-(3-cyclohexylnaphthalen-1-yl)-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(3-cyclohexylnaphthalen-1-yl)-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(3-cyclohexylnaphthalen-1-yl)-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)c3cc(C4CCCCC4)cc4ccccc34)cc21.
What is the InChIKey of N-(3-cyclohexylnaphthalen-1-yl)-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is ARHLKCLDPCIHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47N/c1-55(2)51-28-15-14-25-49(51)50-34-33-45(37-52(50)55)56(53-36-43(38-17-6-3-7-18-38)35-42-23-12-13-24-46(42)53)44-31-29-41(30-32-44)54-47(39-19-8-4-9-20-39)26-16-27-48(54)40-21-10-5-11-22-40/h4-5,8-16,19-38H,3,6-7,17-18H2,1-2H3.
What are the key properties of N-(3-cyclohexylnaphthalen-1-yl)-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
N-(3-cyclohexylnaphthalen-1-yl)-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 721.99 g/mol, XLogP of 15.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylnaphthalen-1-yl)-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 168771662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).