N-[4-(9,9-dimethyl-4,4a-dihydrofluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine

C36H33N — CID 163289523

IUPACN-[4-(9,9-dimethyl-4,4a-dihydrofluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)C2=CC=CC(c3ccc(Nc4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)C2c2ccccc21
InChIInChI=1S/C36H33N/c1-35(2)31-14-8-6-11-29(31)34-26(12-9-15-32(34)35)23-16-18-24(19-17-23)37-25-20-21-28-27-10-5-7-13-30(27)36(3,4)33(28)22-25/h5-22,26,34,37H,1-4H3
InChIKeyPIIMVYKWOPYQCD-UHFFFAOYSA-N
MW479.67 g/mol
LogP9.39
Rot. Bonds3

About N-[4-(9,9-dimethyl-4,4a-dihydrofluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine

N-[4-(9,9-dimethyl-4,4a-dihydrofluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 163289523) has the molecular formula C36H33N and a molecular weight of 479.67 g/mol. Its IUPAC name is N-[4-(9,9-dimethyl-4,4a-dihydrofluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethyl-4,4a-dihydrofluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID163289523
Molecular FormulaC36H33N
Molecular Weight479.67 g/mol
Exact Mass479.26
IUPAC NameN-[4-(9,9-dimethyl-4,4a-dihydrofluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)C2=CC=CC(c3ccc(Nc4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)C2c2ccccc21
InChIInChI=1S/C36H33N/c1-35(2)31-14-8-6-11-29(31)34-26(12-9-15-32(34)35)23-16-18-24(19-17-23)37-25-20-21-28-27-10-5-7-13-30(27)36(3,4)33(28)22-25/h5-22,26,34,37H,1-4H3
InChIKeyPIIMVYKWOPYQCD-UHFFFAOYSA-N
XLogP9.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 59.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
9,9-dimethyl-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 123399255
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167069130
N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine
CID 163509163
CID 144628230
CID 144628230
9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58453890
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
N-[4-(4-fluorophenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 167260406
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
CID 143972766
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
CID 177113997

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethyl-4,4a-dihydrofluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-(9,9-dimethyl-4,4a-dihydrofluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine (CID 163289523) is N-[4-(9,9-dimethyl-4,4a-dihydrofluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(9,9-dimethyl-4,4a-dihydrofluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(9,9-dimethyl-4,4a-dihydrofluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)C2=CC=CC(c3ccc(Nc4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)C2c2ccccc21.
What is the InChIKey of N-[4-(9,9-dimethyl-4,4a-dihydrofluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is PIIMVYKWOPYQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N/c1-35(2)31-14-8-6-11-29(31)34-26(12-9-15-32(34)35)23-16-18-24(19-17-23)37-25-20-21-28-27-10-5-7-13-30(27)36(3,4)33(28)22-25/h5-22,26,34,37H,1-4H3.
What are the key properties of N-[4-(9,9-dimethyl-4,4a-dihydrofluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine?
N-[4-(9,9-dimethyl-4,4a-dihydrofluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 479.67 g/mol, XLogP of 9.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethyl-4,4a-dihydrofluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 163289523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).