N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

C54H49N — CID 171438963

IUPACN-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c3-c3ccc(N(c5ccc(C6CCCCC6)cc5)c5ccccc5-c5ccccc5)cc3C4(C)C)ccc21
InChIInChI=1S/C54H49N/c1-53(2)47-23-13-11-21-44(47)46-34-39(28-33-48(46)53)43-22-15-24-49-52(43)45-32-31-41(35-50(45)54(49,3)4)55(40-29-26-37(27-30-40)36-16-7-5-8-17-36)51-25-14-12-20-42(51)38-18-9-6-10-19-38/h6,9-15,18-36H,5,7-8,16-17H2,1-4H3
InChIKeyDSRUWOUNQJLWQW-UHFFFAOYSA-N
MW711.99 g/mol
LogP15.15
Rot. Bonds6

About N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 171438963) has the molecular formula C54H49N and a molecular weight of 711.99 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
PubChem CID171438963
Molecular FormulaC54H49N
Molecular Weight711.99 g/mol
Exact Mass711.39
IUPAC NameN-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c3-c3ccc(N(c5ccc(C6CCCCC6)cc5)c5ccccc5-c5ccccc5)cc3C4(C)C)ccc21
InChIInChI=1S/C54H49N/c1-53(2)47-23-13-11-21-44(47)46-34-39(28-33-48(46)53)43-22-15-24-49-52(43)45-32-31-41(35-50(45)54(49,3)4)55(40-29-26-37(27-30-40)36-16-7-5-8-17-36)51-25-14-12-20-42(51)38-18-9-6-10-19-38/h6,9-15,18-36H,5,7-8,16-17H2,1-4H3
InChIKeyDSRUWOUNQJLWQW-UHFFFAOYSA-N
XLogP15.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.99
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 171439085
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168771754
N-[4-(4-cyclohexylphenyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 171439072
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 176611487
N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174307439
7-cyclohexyl-9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285409
N-[2-(2-cyclohexylphenyl)phenyl]-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771699
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783
N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293184
N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine
CID 167285837

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (CID 171438963) is N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2cc(-c3cccc4c3-c3ccc(N(c5ccc(C6CCCCC6)cc5)c5ccccc5-c5ccccc5)cc3C4(C)C)ccc21.
What is the InChIKey of N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is DSRUWOUNQJLWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H49N/c1-53(2)47-23-13-11-21-44(47)46-34-39(28-33-48(46)53)43-22-15-24-49-52(43)45-32-31-41(35-50(45)54(49,3)4)55(40-29-26-37(27-30-40)36-16-7-5-8-17-36)51-25-14-12-20-42(51)38-18-9-6-10-19-38/h6,9-15,18-36H,5,7-8,16-17H2,1-4H3.
What are the key properties of N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 711.99 g/mol, XLogP of 15.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 171438963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).