9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)xanthen-3-amine

C52H39NO — CID 166679206

IUPAC9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)xanthen-3-amine
SMILESCC1(C)c2ccccc2Oc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)ccc21
InChIInChI=1S/C52H39NO/c1-51(2)47-23-13-14-24-49(47)54-50-35-42(33-34-48(50)51)53(40-29-25-37(26-30-40)36-15-5-3-6-16-36)41-31-27-39(28-32-41)52(38-17-7-4-8-18-38)45-21-11-9-19-43(45)44-20-10-12-22-46(44)52/h3-35H,1-2H3
InChIKeyOZIUSPDJNUOIPG-UHFFFAOYSA-N
MW693.89 g/mol
LogP13.62
Rot. Bonds6

About 9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)xanthen-3-amine

9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)xanthen-3-amine (PubChem CID 166679206) has the molecular formula C52H39NO and a molecular weight of 693.89 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)xanthen-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)xanthen-3-amine
PubChem CID166679206
Molecular FormulaC52H39NO
Molecular Weight693.89 g/mol
Exact Mass693.30
IUPAC Name9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)xanthen-3-amine
SMILESCC1(C)c2ccccc2Oc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)ccc21
InChIInChI=1S/C52H39NO/c1-51(2)47-23-13-14-24-49(47)54-50-35-42(33-34-48(50)51)53(40-29-25-37(26-30-40)36-15-5-3-6-16-36)41-31-27-39(28-32-41)52(38-17-7-4-8-18-38)45-21-11-9-19-43(45)44-20-10-12-22-46(44)52/h3-35H,1-2H3
InChIKeyOZIUSPDJNUOIPG-UHFFFAOYSA-N
XLogP13.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.89
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
CID 169293009
9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 170375601
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2-amine
CID 167176324
N-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9-phenylxanthen-9-yl)phenyl]phenyl]aniline
CID 90154272
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477449
9,9-dimethyl-N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]xanthen-3-amine
CID 156524804

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)xanthen-3-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)xanthen-3-amine (CID 166679206) is 9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)xanthen-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)xanthen-3-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)xanthen-3-amine is CC1(C)c2ccccc2Oc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)xanthen-3-amine?
The InChIKey is OZIUSPDJNUOIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39NO/c1-51(2)47-23-13-14-24-49(47)54-50-35-42(33-34-48(50)51)53(40-29-25-37(26-30-40)36-15-5-3-6-16-36)41-31-27-39(28-32-41)52(38-17-7-4-8-18-38)45-21-11-9-19-43(45)44-20-10-12-22-46(44)52/h3-35H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)xanthen-3-amine?
9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)xanthen-3-amine has a molecular weight of 693.89 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)xanthen-3-amine is sourced from PubChem (CID 166679206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).