N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

C54H41NO — CID 146578290

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESCc1cc(-c2ccccc2)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1ccccc1-2
InChIInChI=1S/C54H41NO/c1-34-30-37(36-16-6-5-7-17-36)31-35(2)52(34)55(38-26-28-42-40-18-8-10-20-44(40)53(3,4)48(42)32-38)39-27-29-43-41-19-9-11-21-45(41)54(49(43)33-39)46-22-12-14-24-50(46)56-51-25-15-13-23-47(51)54/h5-33H,1-4H3
InChIKeyCTQDRNMGWXDDCM-UHFFFAOYSA-N
MW719.93 g/mol
LogP14.22
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 146578290) has the molecular formula C54H41NO and a molecular weight of 719.93 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID146578290
Molecular FormulaC54H41NO
Molecular Weight719.93 g/mol
Exact Mass719.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESCc1cc(-c2ccccc2)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1ccccc1-2
InChIInChI=1S/C54H41NO/c1-34-30-37(36-16-6-5-7-17-36)31-35(2)52(34)55(38-26-28-42-40-18-8-10-20-44(40)53(3,4)48(42)32-38)39-27-29-43-41-19-9-11-21-45(41)54(49(43)33-39)46-22-12-14-24-50(46)56-51-25-15-13-23-47(51)54/h5-33H,1-4H3
InChIKeyCTQDRNMGWXDDCM-UHFFFAOYSA-N
XLogP14.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.93
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 146578858
N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 121285858
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)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine
CID 155221159
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476302
N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240505
N-[2,6-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221215
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 174274909
N-(2,6-dimethyl-4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309112
N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(3-phenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-amine
CID 161160012

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 146578290) is N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is Cc1cc(-c2ccccc2)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1ccccc1-2.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is CTQDRNMGWXDDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41NO/c1-34-30-37(36-16-6-5-7-17-36)31-35(2)52(34)55(38-26-28-42-40-18-8-10-20-44(40)53(3,4)48(42)32-38)39-27-29-43-41-19-9-11-21-45(41)54(49(43)33-39)46-22-12-14-24-50(46)56-51-25-15-13-23-47(51)54/h5-33H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 719.93 g/mol, XLogP of 14.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 146578290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).