N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine

C43H53N — CID 155467214

IUPACN-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C3CCCCCCCCCCC3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C43H53N/c1-42(2,3)34-23-27-36(28-24-34)44(37-29-30-39-38-19-15-16-20-40(38)43(4,5)41(39)31-37)35-25-21-33(22-26-35)32-17-13-11-9-7-6-8-10-12-14-18-32/h15-16,19-32H,6-14,17-18H2,1-5H3
InChIKeyQZOHIWQDXAKZBU-UHFFFAOYSA-N
MW583.90 g/mol
LogP13.15
Rot. Bonds4

About N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine

N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 155467214) has the molecular formula C43H53N and a molecular weight of 583.90 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID155467214
Molecular FormulaC43H53N
Molecular Weight583.90 g/mol
Exact Mass583.42
IUPAC NameN-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C3CCCCCCCCCCC3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C43H53N/c1-42(2,3)34-23-27-36(28-24-34)44(37-29-30-39-38-19-15-16-20-40(38)43(4,5)41(39)31-37)35-25-21-33(22-26-35)32-17-13-11-9-7-6-8-10-12-14-18-32/h15-16,19-32H,6-14,17-18H2,1-5H3
InChIKeyQZOHIWQDXAKZBU-UHFFFAOYSA-N
XLogP13.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.90
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 160500635
9,9-bis(4-tert-butylphenyl)-N,N-bis(4-cyclohexylphenyl)fluoren-2-amine
CID 166020872
N-(4-cyclohexylphenyl)-N-[3-(4-cyclohexylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 155466796
N-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 160561456
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
N-[4-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[3-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 161128856
N,N-bis[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(4-cyclohexylphenyl)-N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(4-cyclohexylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 159159081
N-[3-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[3-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 157220198
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
2-N,6-N-bis(4-tert-butylphenyl)-9,10-dicyclohexyl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)anthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine
CID 161230090
N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 155466781

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine (CID 155467214) is N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine is CC(C)(C)c1ccc(N(c2ccc(C3CCCCCCCCCCC3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is QZOHIWQDXAKZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H53N/c1-42(2,3)34-23-27-36(28-24-34)44(37-29-30-39-38-19-15-16-20-40(38)43(4,5)41(39)31-37)35-25-21-33(22-26-35)32-17-13-11-9-7-6-8-10-12-14-18-32/h15-16,19-32H,6-14,17-18H2,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine?
N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 583.90 g/mol, XLogP of 13.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 155467214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).