7-chloro-9,9-dimethyl-N,N-diphenylfluoren-1-amine

C27H22ClN — CID 165158530

IUPAC7-chloro-9,9-dimethyl-N,N-diphenylfluoren-1-amine
SMILESCC1(C)c2cc(Cl)ccc2-c2cccc(N(c3ccccc3)c3ccccc3)c21
InChIInChI=1S/C27H22ClN/c1-27(2)24-18-19(28)16-17-22(24)23-14-9-15-25(26(23)27)29(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-18H,1-2H3
InChIKeyIILOEASAJXRQJE-UHFFFAOYSA-N
MW395.93 g/mol
LogP8.12
Rot. Bonds3

About 7-chloro-9,9-dimethyl-N,N-diphenylfluoren-1-amine

7-chloro-9,9-dimethyl-N,N-diphenylfluoren-1-amine (PubChem CID 165158530) has the molecular formula C27H22ClN and a molecular weight of 395.93 g/mol. Its IUPAC name is 7-chloro-9,9-dimethyl-N,N-diphenylfluoren-1-amine.

Molecular Properties

Compound Name7-chloro-9,9-dimethyl-N,N-diphenylfluoren-1-amine
PubChem CID165158530
Molecular FormulaC27H22ClN
Molecular Weight395.93 g/mol
Exact Mass395.14
IUPAC Name7-chloro-9,9-dimethyl-N,N-diphenylfluoren-1-amine
SMILESCC1(C)c2cc(Cl)ccc2-c2cccc(N(c3ccccc3)c3ccccc3)c21
InChIInChI=1S/C27H22ClN/c1-27(2)24-18-19(28)16-17-22(24)23-14-9-15-25(26(23)27)29(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-18H,1-2H3
InChIKeyIILOEASAJXRQJE-UHFFFAOYSA-N
XLogP8.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.93
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
CID 171439038
N-(3-chlorophenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine
CID 155609454
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine
CID 170215738
7-chloro-1-iodo-9,9-dimethylfluorene
CID 139958810
7-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 154588610
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine
CID 170144166
9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285414
3-N-(3-chlorophenyl)-3-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,3-diamine
CID 146602154
2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 170218393
2'-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-4'-amine
CID 155003548
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-2-yl)fluoren-1-amine
CID 170216276
N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenylphenanthren-4-amine
CID 163943699

Frequently Asked Questions

What is the IUPAC name of 7-chloro-9,9-dimethyl-N,N-diphenylfluoren-1-amine?
The IUPAC name of 7-chloro-9,9-dimethyl-N,N-diphenylfluoren-1-amine (CID 165158530) is 7-chloro-9,9-dimethyl-N,N-diphenylfluoren-1-amine.
What is the SMILES notation for 7-chloro-9,9-dimethyl-N,N-diphenylfluoren-1-amine?
The canonical SMILES for 7-chloro-9,9-dimethyl-N,N-diphenylfluoren-1-amine is CC1(C)c2cc(Cl)ccc2-c2cccc(N(c3ccccc3)c3ccccc3)c21.
What is the InChIKey of 7-chloro-9,9-dimethyl-N,N-diphenylfluoren-1-amine?
The InChIKey is IILOEASAJXRQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN/c1-27(2)24-18-19(28)16-17-22(24)23-14-9-15-25(26(23)27)29(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-18H,1-2H3.
What are the key properties of 7-chloro-9,9-dimethyl-N,N-diphenylfluoren-1-amine?
7-chloro-9,9-dimethyl-N,N-diphenylfluoren-1-amine has a molecular weight of 395.93 g/mol, XLogP of 8.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-9,9-dimethyl-N,N-diphenylfluoren-1-amine is sourced from PubChem (CID 165158530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).