3-(9H-fluoren-1-yl)-1-phenyl-2H-quinazolin-3-ium

C27H21N2+ — CID 21342510

IUPAC3-(9H-fluoren-1-yl)-1-phenyl-2H-quinazolin-3-ium
SMILESC1=[N+](c2cccc3c2Cc2ccccc2-3)CN(c2ccccc2)c2ccccc21
InChIInChI=1S/C27H21N2/c1-2-11-22(12-3-1)29-19-28(18-21-10-5-7-15-26(21)29)27-16-8-14-24-23-13-6-4-9-20(23)17-25(24)27/h1-16,18H,17,19H2/q+1
InChIKeyACQVXLDLLYRQLK-UHFFFAOYSA-N
MW373.48 g/mol
LogP6.13
Rot. Bonds2

About 3-(9H-fluoren-1-yl)-1-phenyl-2H-quinazolin-3-ium

3-(9H-fluoren-1-yl)-1-phenyl-2H-quinazolin-3-ium (PubChem CID 21342510) has the molecular formula C27H21N2+ and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-(9H-fluoren-1-yl)-1-phenyl-2H-quinazolin-3-ium.

Molecular Properties

Compound Name3-(9H-fluoren-1-yl)-1-phenyl-2H-quinazolin-3-ium
PubChem CID21342510
Molecular FormulaC27H21N2+
Molecular Weight373.48 g/mol
Exact Mass373.17
IUPAC Name3-(9H-fluoren-1-yl)-1-phenyl-2H-quinazolin-3-ium
SMILESC1=[N+](c2cccc3c2Cc2ccccc2-3)CN(c2ccccc2)c2ccccc21
InChIInChI=1S/C27H21N2/c1-2-11-22(12-3-1)29-19-28(18-21-10-5-7-15-26(21)29)27-16-8-14-24-23-13-6-4-9-20(23)17-25(24)27/h1-16,18H,17,19H2/q+1
InChIKeyACQVXLDLLYRQLK-UHFFFAOYSA-N
XLogP6.13
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
bis(9H-fluoren-1-yl)mercury
CID 154196677
2-(9H-fluoren-1-yl)-1,2-thiazol-3-one
CID 151342567
CID 123562270
CID 123562270
bis(9H-fluoren-1-yl)-dimethylgermane
CID 22068853
1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene
CID 141254702
2-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241625
Fluorenylsilane
CID 22104606
4-[4-(9H-fluoren-1-yl)phenoxy]aniline
CID 141303700
1-(9H-fluoren-1-yl)tetrazole
CID 151624663

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-1-yl)-1-phenyl-2H-quinazolin-3-ium?
The IUPAC name of 3-(9H-fluoren-1-yl)-1-phenyl-2H-quinazolin-3-ium (CID 21342510) is 3-(9H-fluoren-1-yl)-1-phenyl-2H-quinazolin-3-ium.
What is the SMILES notation for 3-(9H-fluoren-1-yl)-1-phenyl-2H-quinazolin-3-ium?
The canonical SMILES for 3-(9H-fluoren-1-yl)-1-phenyl-2H-quinazolin-3-ium is C1=[N+](c2cccc3c2Cc2ccccc2-3)CN(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(9H-fluoren-1-yl)-1-phenyl-2H-quinazolin-3-ium?
The InChIKey is ACQVXLDLLYRQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N2/c1-2-11-22(12-3-1)29-19-28(18-21-10-5-7-15-26(21)29)27-16-8-14-24-23-13-6-4-9-20(23)17-25(24)27/h1-16,18H,17,19H2/q+1.
What are the key properties of 3-(9H-fluoren-1-yl)-1-phenyl-2H-quinazolin-3-ium?
3-(9H-fluoren-1-yl)-1-phenyl-2H-quinazolin-3-ium has a molecular weight of 373.48 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-1-yl)-1-phenyl-2H-quinazolin-3-ium is sourced from PubChem (CID 21342510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).