2-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-1'-amine

C45H29NO — CID 146215869

IUPAC2-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-1'-amine
SMILESNc1cccc2c1C1(c3ccccc3O2)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C45H29NO/c46-39-22-12-24-41-44(39)45(37-21-10-11-23-40(37)47-41)36-20-9-8-15-30(36)31-26-25-29(27-38(31)45)43-34-18-6-4-16-32(34)42(28-13-2-1-3-14-28)33-17-5-7-19-35(33)43/h1-27H,46H2
InChIKeyAEXILVCGFNXGAW-UHFFFAOYSA-N
MW599.73 g/mol
LogP11.38
Rot. Bonds2

About 2-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-1'-amine

2-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-1'-amine (PubChem CID 146215869) has the molecular formula C45H29NO and a molecular weight of 599.73 g/mol. Its IUPAC name is 2-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-1'-amine.

Molecular Properties

Compound Name2-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-1'-amine
PubChem CID146215869
Molecular FormulaC45H29NO
Molecular Weight599.73 g/mol
Exact Mass599.22
IUPAC Name2-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-1'-amine
SMILESNc1cccc2c1C1(c3ccccc3O2)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C45H29NO/c46-39-22-12-24-41-44(39)45(37-21-10-11-23-40(37)47-41)36-20-9-8-15-30(36)31-26-25-29(27-38(31)45)43-34-18-6-4-16-32(34)42(28-13-2-1-3-14-28)33-17-5-7-19-35(33)43/h1-27H,46H2
InChIKeyAEXILVCGFNXGAW-UHFFFAOYSA-N
XLogP11.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.73
LogP ≤ 511.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
CID 59096369
18-(10-phenylanthracen-9-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene]
CID 118521003
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
7-(4,5-diphenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-2-carbonitrile
CID 146215858
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
2-(10-phenylanthracen-9-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)pyridine
CID 147083313
2,3-bis(9,9'-spirobi[fluorene]-2-yl)aniline
CID 90756938
2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]
CID 167178487
5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033168
9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene
CID 155333539
2'-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylspiro[fluorene-9,9'-xanthene]
CID 170037300

Frequently Asked Questions

What is the IUPAC name of 2-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-1'-amine?
The IUPAC name of 2-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-1'-amine (CID 146215869) is 2-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-1'-amine.
What is the SMILES notation for 2-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-1'-amine?
The canonical SMILES for 2-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-1'-amine is Nc1cccc2c1C1(c3ccccc3O2)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.
What is the InChIKey of 2-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-1'-amine?
The InChIKey is AEXILVCGFNXGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29NO/c46-39-22-12-24-41-44(39)45(37-21-10-11-23-40(37)47-41)36-20-9-8-15-30(36)31-26-25-29(27-38(31)45)43-34-18-6-4-16-32(34)42(28-13-2-1-3-14-28)33-17-5-7-19-35(33)43/h1-27H,46H2.
What are the key properties of 2-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-1'-amine?
2-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-1'-amine has a molecular weight of 599.73 g/mol, XLogP of 11.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-1'-amine is sourced from PubChem (CID 146215869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).