7-(5-chlorothiophen-2-yl)-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine

C26H22ClNS — CID 70921493

IUPAC7-(5-chlorothiophen-2-yl)-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
SMILESCc1ccc(Nc2ccc3c(c2)C(C)(C)c2cc(-c4ccc(Cl)s4)ccc2-3)cc1
InChIInChI=1S/C26H22ClNS/c1-16-4-7-18(8-5-16)28-19-9-11-21-20-10-6-17(24-12-13-25(27)29-24)14-22(20)26(2,3)23(21)15-19/h4-15,28H,1-3H3
InChIKeyVQIXPCNISJDKLV-UHFFFAOYSA-N
MW415.99 g/mol
LogP8.43
Rot. Bonds3

About 7-(5-chlorothiophen-2-yl)-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine

7-(5-chlorothiophen-2-yl)-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine (PubChem CID 70921493) has the molecular formula C26H22ClNS and a molecular weight of 415.99 g/mol. Its IUPAC name is 7-(5-chlorothiophen-2-yl)-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-(5-chlorothiophen-2-yl)-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
PubChem CID70921493
Molecular FormulaC26H22ClNS
Molecular Weight415.99 g/mol
Exact Mass415.12
IUPAC Name7-(5-chlorothiophen-2-yl)-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
SMILESCc1ccc(Nc2ccc3c(c2)C(C)(C)c2cc(-c4ccc(Cl)s4)ccc2-3)cc1
InChIInChI=1S/C26H22ClNS/c1-16-4-7-18(8-5-16)28-19-9-11-21-20-10-6-17(24-12-13-25(27)29-24)14-22(20)26(2,3)23(21)15-19/h4-15,28H,1-3H3
InChIKeyVQIXPCNISJDKLV-UHFFFAOYSA-N
XLogP8.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.99
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene
CID 59167067
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
[4-[(7,9,9-trimethylfluoren-2-yl)amino]phenyl]methanol
CID 170093919
N-[4-(1,3-benzothiazol-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 166918119
2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene
CID 155449285
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
CID 143972766
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
2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene
CID 58880749
CID 144628230
CID 144628230
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 7-(5-chlorothiophen-2-yl)-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine?
The IUPAC name of 7-(5-chlorothiophen-2-yl)-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine (CID 70921493) is 7-(5-chlorothiophen-2-yl)-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-(5-chlorothiophen-2-yl)-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine?
The canonical SMILES for 7-(5-chlorothiophen-2-yl)-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine is Cc1ccc(Nc2ccc3c(c2)C(C)(C)c2cc(-c4ccc(Cl)s4)ccc2-3)cc1.
What is the InChIKey of 7-(5-chlorothiophen-2-yl)-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine?
The InChIKey is VQIXPCNISJDKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNS/c1-16-4-7-18(8-5-16)28-19-9-11-21-20-10-6-17(24-12-13-25(27)29-24)14-22(20)26(2,3)23(21)15-19/h4-15,28H,1-3H3.
What are the key properties of 7-(5-chlorothiophen-2-yl)-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine?
7-(5-chlorothiophen-2-yl)-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine has a molecular weight of 415.99 g/mol, XLogP of 8.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chlorothiophen-2-yl)-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine is sourced from PubChem (CID 70921493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).