N,9,9-triphenylxanthen-2-amine

C31H23NO — CID 169292905

IUPACN,9,9-triphenylxanthen-2-amine
SMILESc1ccc(Nc2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2O3)cc1
InChIInChI=1S/C31H23NO/c1-4-12-23(13-5-1)31(24-14-6-2-7-15-24)27-18-10-11-19-29(27)33-30-21-20-26(22-28(30)31)32-25-16-8-3-9-17-25/h1-22,32H
InChIKeyFCYGVGVPKLXLNP-UHFFFAOYSA-N
MW425.53 g/mol
LogP7.92
Rot. Bonds4

About N,9,9-triphenylxanthen-2-amine

N,9,9-triphenylxanthen-2-amine (PubChem CID 169292905) has the molecular formula C31H23NO and a molecular weight of 425.53 g/mol. Its IUPAC name is N,9,9-triphenylxanthen-2-amine.

Molecular Properties

Compound NameN,9,9-triphenylxanthen-2-amine
PubChem CID169292905
Molecular FormulaC31H23NO
Molecular Weight425.53 g/mol
Exact Mass425.18
IUPAC NameN,9,9-triphenylxanthen-2-amine
SMILESc1ccc(Nc2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2O3)cc1
InChIInChI=1S/C31H23NO/c1-4-12-23(13-5-1)31(24-14-6-2-7-15-24)27-18-10-11-19-29(27)33-30-21-20-26(22-28(30)31)32-25-16-8-3-9-17-25/h1-22,32H
InChIKeyFCYGVGVPKLXLNP-UHFFFAOYSA-N
XLogP7.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 150606722
9,9-dimethyl-N-phenylxanthen-3-amine
CID 156524764
N,9,9-triphenylthioxanthen-2-amine
CID 166844536
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
9-phenyl-9-tetraphenylen-2-ylxanthene
CID 134164717
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
2-N,7-N-bis(4-fluorophenyl)-9,9-diphenylfluorene-2,7-diamine
CID 172547033
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
CID 166679205
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170017230

Frequently Asked Questions

What is the IUPAC name of N,9,9-triphenylxanthen-2-amine?
The IUPAC name of N,9,9-triphenylxanthen-2-amine (CID 169292905) is N,9,9-triphenylxanthen-2-amine.
What is the SMILES notation for N,9,9-triphenylxanthen-2-amine?
The canonical SMILES for N,9,9-triphenylxanthen-2-amine is c1ccc(Nc2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2O3)cc1.
What is the InChIKey of N,9,9-triphenylxanthen-2-amine?
The InChIKey is FCYGVGVPKLXLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO/c1-4-12-23(13-5-1)31(24-14-6-2-7-15-24)27-18-10-11-19-29(27)33-30-21-20-26(22-28(30)31)32-25-16-8-3-9-17-25/h1-22,32H.
What are the key properties of N,9,9-triphenylxanthen-2-amine?
N,9,9-triphenylxanthen-2-amine has a molecular weight of 425.53 g/mol, XLogP of 7.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9,9-triphenylxanthen-2-amine is sourced from PubChem (CID 169292905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).