3-benzyl-10-phenylspiro[acridine-9,9'-fluorene]

C38H27N — CID 158758240

IUPAC3-benzyl-10-phenylspiro[acridine-9,9'-fluorene]
SMILESc1ccc(Cc2ccc3c(c2)N(c2ccccc2)c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C38H27N/c1-3-13-27(14-4-1)25-28-23-24-35-37(26-28)39(29-15-5-2-6-16-29)36-22-12-11-21-34(36)38(35)32-19-9-7-17-30(32)31-18-8-10-20-33(31)38/h1-24,26H,25H2
InChIKeyGERAANXELXTPBX-UHFFFAOYSA-N
MW497.64 g/mol
LogP9.42
Rot. Bonds3

About 3-benzyl-10-phenylspiro[acridine-9,9'-fluorene]

3-benzyl-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 158758240) has the molecular formula C38H27N and a molecular weight of 497.64 g/mol. Its IUPAC name is 3-benzyl-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name3-benzyl-10-phenylspiro[acridine-9,9'-fluorene]
PubChem CID158758240
Molecular FormulaC38H27N
Molecular Weight497.64 g/mol
Exact Mass497.21
IUPAC Name3-benzyl-10-phenylspiro[acridine-9,9'-fluorene]
SMILESc1ccc(Cc2ccc3c(c2)N(c2ccccc2)c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C38H27N/c1-3-13-27(14-4-1)25-28-23-24-35-37(26-28)39(29-15-5-2-6-16-29)36-22-12-11-21-34(36)38(35)32-19-9-7-17-30(32)31-18-8-10-20-33(31)38/h1-24,26H,25H2
InChIKeyGERAANXELXTPBX-UHFFFAOYSA-N
XLogP9.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
10-phenyl-3-pyridin-4-ylspiro[acridine-9,9'-fluorene]
CID 146495033
10-phenyl-3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 139521203
3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 122367921
5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline
CID 140886971
N,10-diphenylspiro[acridine-9,9'-fluorene]-4-amine
CID 155483600
3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
CID 145334426
2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine
CID 155483177
N-(9,9-dimethylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309240
2-benzylspiro[fluorene-9,9'-xanthene]
CID 155763710
10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]
CID 135293730
2'-benzylspiro[fluorene-9,9'-xanthene]
CID 155763670

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-10-phenylspiro[acridine-9,9'-fluorene]?
The IUPAC name of 3-benzyl-10-phenylspiro[acridine-9,9'-fluorene] (CID 158758240) is 3-benzyl-10-phenylspiro[acridine-9,9'-fluorene].
What is the SMILES notation for 3-benzyl-10-phenylspiro[acridine-9,9'-fluorene]?
The canonical SMILES for 3-benzyl-10-phenylspiro[acridine-9,9'-fluorene] is c1ccc(Cc2ccc3c(c2)N(c2ccccc2)c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 3-benzyl-10-phenylspiro[acridine-9,9'-fluorene]?
The InChIKey is GERAANXELXTPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N/c1-3-13-27(14-4-1)25-28-23-24-35-37(26-28)39(29-15-5-2-6-16-29)36-22-12-11-21-34(36)38(35)32-19-9-7-17-30(32)31-18-8-10-20-33(31)38/h1-24,26H,25H2.
What are the key properties of 3-benzyl-10-phenylspiro[acridine-9,9'-fluorene]?
3-benzyl-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 497.64 g/mol, XLogP of 9.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 158758240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).