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

C37H25NO — CID 150606722

IUPACN-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(Nc3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C37H25NO/c1-2-10-25(11-3-1)26-18-20-27(21-19-26)38-28-22-23-30-29-12-4-5-13-31(29)37(34(30)24-28)32-14-6-8-16-35(32)39-36-17-9-7-15-33(36)37/h1-24,38H
InChIKeyITAMQABHXVRJMU-UHFFFAOYSA-N
MW499.61 g/mol
LogP9.57
Rot. Bonds3

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

N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 150606722) has the molecular formula C37H25NO and a molecular weight of 499.61 g/mol. Its IUPAC name is N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID150606722
Molecular FormulaC37H25NO
Molecular Weight499.61 g/mol
Exact Mass499.19
IUPAC NameN-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(Nc3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C37H25NO/c1-2-10-25(11-3-1)26-18-20-27(21-19-26)38-28-22-23-30-29-12-4-5-13-31(29)37(34(30)24-28)32-14-6-8-16-35(32)39-36-17-9-7-15-33(36)37/h1-24,38H
InChIKeyITAMQABHXVRJMU-UHFFFAOYSA-N
XLogP9.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 59.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 130271446
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
N-(4-tert-butylphenyl)-4-spiro[fluorene-9,9'-xanthene]-3-ylaniline
CID 155235355
3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine
CID 166653983
9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine
CID 169305049
N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 169305180
4-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476305
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 138577304
4-(17-phenylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene]-11-yl)pyridine
CID 134571333
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 150606722) is N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is c1ccc(-c2ccc(Nc3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is ITAMQABHXVRJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25NO/c1-2-10-25(11-3-1)26-18-20-27(21-19-26)38-28-22-23-30-29-12-4-5-13-31(29)37(34(30)24-28)32-14-6-8-16-35(32)39-36-17-9-7-15-33(36)37/h1-24,38H.
What are the key properties of N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 499.61 g/mol, XLogP of 9.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 150606722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).