N-phenyl-4-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)aniline

C28H27N — CID 145265129

IUPACN-phenyl-4-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)aniline
SMILESCC1C=C2C(=CC1c1ccc(Nc3ccccc3)cc1)C(C)(C)c1ccccc12
InChIInChI=1S/C28H27N/c1-19-17-25-23-11-7-8-12-26(23)28(2,3)27(25)18-24(19)20-13-15-22(16-14-20)29-21-9-5-4-6-10-21/h4-19,24,29H,1-3H3
InChIKeyTVAYTIXEPKLUKC-UHFFFAOYSA-N
MW377.53 g/mol
LogP7.46
Rot. Bonds3

About N-phenyl-4-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)aniline

N-phenyl-4-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)aniline (PubChem CID 145265129) has the molecular formula C28H27N and a molecular weight of 377.53 g/mol. Its IUPAC name is N-phenyl-4-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)aniline.

Molecular Properties

Compound NameN-phenyl-4-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)aniline
PubChem CID145265129
Molecular FormulaC28H27N
Molecular Weight377.53 g/mol
Exact Mass377.21
IUPAC NameN-phenyl-4-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)aniline
SMILESCC1C=C2C(=CC1c1ccc(Nc3ccccc3)cc1)C(C)(C)c1ccccc12
InChIInChI=1S/C28H27N/c1-19-17-25-23-11-7-8-12-26(23)28(2,3)27(25)18-24(19)20-13-15-22(16-14-20)29-21-9-5-4-6-10-21/h4-19,24,29H,1-3H3
InChIKeyTVAYTIXEPKLUKC-UHFFFAOYSA-N
XLogP7.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)aniline?
The IUPAC name of N-phenyl-4-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)aniline (CID 145265129) is N-phenyl-4-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)aniline.
What is the SMILES notation for N-phenyl-4-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)aniline?
The canonical SMILES for N-phenyl-4-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)aniline is CC1C=C2C(=CC1c1ccc(Nc3ccccc3)cc1)C(C)(C)c1ccccc12.
What is the InChIKey of N-phenyl-4-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)aniline?
The InChIKey is TVAYTIXEPKLUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N/c1-19-17-25-23-11-7-8-12-26(23)28(2,3)27(25)18-24(19)20-13-15-22(16-14-20)29-21-9-5-4-6-10-21/h4-19,24,29H,1-3H3.
What are the key properties of N-phenyl-4-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)aniline?
N-phenyl-4-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)aniline has a molecular weight of 377.53 g/mol, XLogP of 7.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)aniline is sourced from PubChem (CID 145265129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).