N-[2-(4-cyclohexylphenyl)-5-propan-2-ylphenyl]-9,9-dimethyl-N-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)fluoren-2-amine

C52H55N — CID 174308990

IUPACN-[2-(4-cyclohexylphenyl)-5-propan-2-ylphenyl]-9,9-dimethyl-N-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)fluoren-2-amine
SMILESCC1CC=CC2=C1c1ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(C(C)C)ccc3-c3ccc(C4CCCCC4)cc3)cc1C2(C)C
InChIInChI=1S/C52H55N/c1-33(2)38-24-27-41(37-22-20-36(21-23-37)35-15-9-8-10-16-35)49(30-38)53(39-25-28-43-42-17-11-12-18-45(42)51(4,5)47(43)31-39)40-26-29-44-48(32-40)52(6,7)46-19-13-14-34(3)50(44)46/h11-13,17-35H,8-10,14-16H2,1-7H3
InChIKeyLWSJSDJHUAHGBX-UHFFFAOYSA-N
MW694.02 g/mol
LogP14.94
Rot. Bonds6

About N-[2-(4-cyclohexylphenyl)-5-propan-2-ylphenyl]-9,9-dimethyl-N-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)fluoren-2-amine

N-[2-(4-cyclohexylphenyl)-5-propan-2-ylphenyl]-9,9-dimethyl-N-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)fluoren-2-amine (PubChem CID 174308990) has the molecular formula C52H55N and a molecular weight of 694.02 g/mol. Its IUPAC name is N-[2-(4-cyclohexylphenyl)-5-propan-2-ylphenyl]-9,9-dimethyl-N-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-[2-(4-cyclohexylphenyl)-5-propan-2-ylphenyl]-9,9-dimethyl-N-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)fluoren-2-amine
PubChem CID174308990
Molecular FormulaC52H55N
Molecular Weight694.02 g/mol
Exact Mass693.43
IUPAC NameN-[2-(4-cyclohexylphenyl)-5-propan-2-ylphenyl]-9,9-dimethyl-N-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)fluoren-2-amine
SMILESCC1CC=CC2=C1c1ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(C(C)C)ccc3-c3ccc(C4CCCCC4)cc3)cc1C2(C)C
InChIInChI=1S/C52H55N/c1-33(2)38-24-27-41(37-22-20-36(21-23-37)35-15-9-8-10-16-35)49(30-38)53(39-25-28-43-42-17-11-12-18-45(42)51(4,5)47(43)31-39)40-26-29-44-48(32-40)52(6,7)46-19-13-14-34(3)50(44)46/h11-13,17-35H,8-10,14-16H2,1-7H3
InChIKeyLWSJSDJHUAHGBX-UHFFFAOYSA-N
XLogP14.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.02
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-[3-[2-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-(3-phenylnaphthalen-2-yl)-5,6-dihydrofluoren-2-amine
CID 177098631
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 164774121
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-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174307439
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine
CID 155467210
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
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783
N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 155466781
4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide
CID 142541086

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclohexylphenyl)-5-propan-2-ylphenyl]-9,9-dimethyl-N-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)fluoren-2-amine?
The IUPAC name of N-[2-(4-cyclohexylphenyl)-5-propan-2-ylphenyl]-9,9-dimethyl-N-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)fluoren-2-amine (CID 174308990) is N-[2-(4-cyclohexylphenyl)-5-propan-2-ylphenyl]-9,9-dimethyl-N-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)fluoren-2-amine.
What is the SMILES notation for N-[2-(4-cyclohexylphenyl)-5-propan-2-ylphenyl]-9,9-dimethyl-N-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)fluoren-2-amine?
The canonical SMILES for N-[2-(4-cyclohexylphenyl)-5-propan-2-ylphenyl]-9,9-dimethyl-N-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)fluoren-2-amine is CC1CC=CC2=C1c1ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(C(C)C)ccc3-c3ccc(C4CCCCC4)cc3)cc1C2(C)C.
What is the InChIKey of N-[2-(4-cyclohexylphenyl)-5-propan-2-ylphenyl]-9,9-dimethyl-N-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)fluoren-2-amine?
The InChIKey is LWSJSDJHUAHGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H55N/c1-33(2)38-24-27-41(37-22-20-36(21-23-37)35-15-9-8-10-16-35)49(30-38)53(39-25-28-43-42-17-11-12-18-45(42)51(4,5)47(43)31-39)40-26-29-44-48(32-40)52(6,7)46-19-13-14-34(3)50(44)46/h11-13,17-35H,8-10,14-16H2,1-7H3.
What are the key properties of N-[2-(4-cyclohexylphenyl)-5-propan-2-ylphenyl]-9,9-dimethyl-N-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)fluoren-2-amine?
N-[2-(4-cyclohexylphenyl)-5-propan-2-ylphenyl]-9,9-dimethyl-N-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)fluoren-2-amine has a molecular weight of 694.02 g/mol, XLogP of 14.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclohexylphenyl)-5-propan-2-ylphenyl]-9,9-dimethyl-N-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)fluoren-2-amine is sourced from PubChem (CID 174308990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).