N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine

C49H47N — CID 171439085

IUPACN-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccc(-c3cccc4c3-c3ccccc3C4(C)C)cc2-c2ccc(N(c3ccccc3)c3ccc(C4CCCCCC4)cc3)cc21
InChIInChI=1S/C49H47N/c1-48(2)43-21-13-12-19-41(43)47-39(20-14-22-45(47)48)35-25-30-44-42(31-35)40-29-28-38(32-46(40)49(44,3)4)50(36-17-10-7-11-18-36)37-26-23-34(24-27-37)33-15-8-5-6-9-16-33/h7,10-14,17-33H,5-6,8-9,15-16H2,1-4H3
InChIKeyNNQMXWCTYPJCDH-UHFFFAOYSA-N
MW649.92 g/mol
LogP13.87
Rot. Bonds5

About N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine

N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 171439085) has the molecular formula C49H47N and a molecular weight of 649.92 g/mol. Its IUPAC name is N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID171439085
Molecular FormulaC49H47N
Molecular Weight649.92 g/mol
Exact Mass649.37
IUPAC NameN-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccc(-c3cccc4c3-c3ccccc3C4(C)C)cc2-c2ccc(N(c3ccccc3)c3ccc(C4CCCCCC4)cc3)cc21
InChIInChI=1S/C49H47N/c1-48(2)43-21-13-12-19-41(43)47-39(20-14-22-45(47)48)35-25-30-44-42(31-35)40-29-28-38(32-46(40)49(44,3)4)50(36-17-10-7-11-18-36)37-26-23-34(24-27-37)33-15-8-5-6-9-16-33/h7,10-14,17-33H,5-6,8-9,15-16H2,1-4H3
InChIKeyNNQMXWCTYPJCDH-UHFFFAOYSA-N
XLogP13.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.92
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171438963
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
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-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
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-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-[2-phenyl-6-(3-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168771754
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
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
N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 155466781
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 171439076

Frequently Asked Questions

What is the IUPAC name of N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine (CID 171439085) is N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccc(-c3cccc4c3-c3ccccc3C4(C)C)cc2-c2ccc(N(c3ccccc3)c3ccc(C4CCCCCC4)cc3)cc21.
What is the InChIKey of N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is NNQMXWCTYPJCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H47N/c1-48(2)43-21-13-12-19-41(43)47-39(20-14-22-45(47)48)35-25-30-44-42(31-35)40-29-28-38(32-46(40)49(44,3)4)50(36-17-10-7-11-18-36)37-26-23-34(24-27-37)33-15-8-5-6-9-16-33/h7,10-14,17-33H,5-6,8-9,15-16H2,1-4H3.
What are the key properties of N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine?
N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 649.92 g/mol, XLogP of 13.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cycloheptylphenyl)-6-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 171439085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).