N-(4-bromophenyl)-9,9-dimethyl-N-phenylxanthen-2-amine

C27H22BrNO — CID 164714079

IUPACN-(4-bromophenyl)-9,9-dimethyl-N-phenylxanthen-2-amine
SMILESCC1(C)c2ccccc2Oc2ccc(N(c3ccccc3)c3ccc(Br)cc3)cc21
InChIInChI=1S/C27H22BrNO/c1-27(2)23-10-6-7-11-25(23)30-26-17-16-22(18-24(26)27)29(20-8-4-3-5-9-20)21-14-12-19(28)13-15-21/h3-18H,1-2H3
InChIKeyBNEGKNZFFVMTDF-UHFFFAOYSA-N
MW456.38 g/mol
LogP8.35
Rot. Bonds3

About N-(4-bromophenyl)-9,9-dimethyl-N-phenylxanthen-2-amine

N-(4-bromophenyl)-9,9-dimethyl-N-phenylxanthen-2-amine (PubChem CID 164714079) has the molecular formula C27H22BrNO and a molecular weight of 456.38 g/mol. Its IUPAC name is N-(4-bromophenyl)-9,9-dimethyl-N-phenylxanthen-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-9,9-dimethyl-N-phenylxanthen-2-amine
PubChem CID164714079
Molecular FormulaC27H22BrNO
Molecular Weight456.38 g/mol
Exact Mass455.09
IUPAC NameN-(4-bromophenyl)-9,9-dimethyl-N-phenylxanthen-2-amine
SMILESCC1(C)c2ccccc2Oc2ccc(N(c3ccccc3)c3ccc(Br)cc3)cc21
InChIInChI=1S/C27H22BrNO/c1-27(2)23-10-6-7-11-25(23)30-26-17-16-22(18-24(26)27)29(20-8-4-3-5-9-20)21-14-12-19(28)13-15-21/h3-18H,1-2H3
InChIKeyBNEGKNZFFVMTDF-UHFFFAOYSA-N
XLogP8.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.38
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-[4-(N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
CID 90365627
6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine
CID 153445557
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118134290
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
CID 166679140
N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 90365679
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 90365672
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
4-[4-[4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]anilino]phenyl]-N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]aniline
CID 90365709
2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenylspiro[fluorene-9,9'-xanthene]-2,2',7,7'-tetramine
CID 132604176
9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)fluoren-2-amine
CID 146333571
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476546
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-1-amine
CID 146333673

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-9,9-dimethyl-N-phenylxanthen-2-amine?
The IUPAC name of N-(4-bromophenyl)-9,9-dimethyl-N-phenylxanthen-2-amine (CID 164714079) is N-(4-bromophenyl)-9,9-dimethyl-N-phenylxanthen-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-9,9-dimethyl-N-phenylxanthen-2-amine?
The canonical SMILES for N-(4-bromophenyl)-9,9-dimethyl-N-phenylxanthen-2-amine is CC1(C)c2ccccc2Oc2ccc(N(c3ccccc3)c3ccc(Br)cc3)cc21.
What is the InChIKey of N-(4-bromophenyl)-9,9-dimethyl-N-phenylxanthen-2-amine?
The InChIKey is BNEGKNZFFVMTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22BrNO/c1-27(2)23-10-6-7-11-25(23)30-26-17-16-22(18-24(26)27)29(20-8-4-3-5-9-20)21-14-12-19(28)13-15-21/h3-18H,1-2H3.
What are the key properties of N-(4-bromophenyl)-9,9-dimethyl-N-phenylxanthen-2-amine?
N-(4-bromophenyl)-9,9-dimethyl-N-phenylxanthen-2-amine has a molecular weight of 456.38 g/mol, XLogP of 8.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-9,9-dimethyl-N-phenylxanthen-2-amine is sourced from PubChem (CID 164714079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).