N-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine

C33H29N — CID 156510122

IUPACN-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccccc4)cc3C3=CCCC=C3)cc21
InChIInChI=1S/C33H29N/c1-33(2)30-16-10-9-15-27(30)28-19-18-26(22-31(28)33)34-32-20-17-25(23-11-5-3-6-12-23)21-29(32)24-13-7-4-8-14-24/h3,5-7,9-22,34H,4,8H2,1-2H3
InChIKeyLATDVFDIHQTUOB-UHFFFAOYSA-N
MW439.60 g/mol
LogP9.14
Rot. Bonds4

About N-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine

N-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 156510122) has the molecular formula C33H29N and a molecular weight of 439.60 g/mol. Its IUPAC name is N-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID156510122
Molecular FormulaC33H29N
Molecular Weight439.60 g/mol
Exact Mass439.23
IUPAC NameN-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccccc4)cc3C3=CCCC=C3)cc21
InChIInChI=1S/C33H29N/c1-33(2)30-16-10-9-15-27(30)28-19-18-26(22-31(28)33)34-32-20-17-25(23-11-5-3-6-12-23)21-29(32)24-13-7-4-8-14-24/h3,5-7,9-22,34H,4,8H2,1-2H3
InChIKeyLATDVFDIHQTUOB-UHFFFAOYSA-N
XLogP9.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 59.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine (CID 156510122) is N-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccccc4)cc3C3=CCCC=C3)cc21.
What is the InChIKey of N-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is LATDVFDIHQTUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N/c1-33(2)30-16-10-9-15-27(30)28-19-18-26(22-31(28)33)34-32-20-17-25(23-11-5-3-6-12-23)21-29(32)24-13-7-4-8-14-24/h3,5-7,9-22,34H,4,8H2,1-2H3.
What are the key properties of N-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine?
N-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 439.60 g/mol, XLogP of 9.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 156510122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).