4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,4-dihydroquinazoline

C44H29N3O — CID 163627253

IUPAC4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,4-dihydroquinazoline
SMILESc1ccc(C2N=C(c3cccnc3-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)Nc3ccccc32)cc1
InChIInChI=1S/C44H29N3O/c1-2-13-28(14-3-1)42-32-17-6-10-22-38(32)46-43(47-42)33-18-12-26-45-41(33)29-24-25-37-40(27-29)48-39-23-11-9-21-36(39)44(37)34-19-7-4-15-30(34)31-16-5-8-20-35(31)44/h1-27,42H,(H,46,47)
InChIKeyHTBNCONIGMEJEO-UHFFFAOYSA-N
MW615.74 g/mol
LogP10.18
Rot. Bonds3

About 4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,4-dihydroquinazoline

4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,4-dihydroquinazoline (PubChem CID 163627253) has the molecular formula C44H29N3O and a molecular weight of 615.74 g/mol. Its IUPAC name is 4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,4-dihydroquinazoline.

Molecular Properties

Compound Name4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,4-dihydroquinazoline
PubChem CID163627253
Molecular FormulaC44H29N3O
Molecular Weight615.74 g/mol
Exact Mass615.23
IUPAC Name4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,4-dihydroquinazoline
SMILESc1ccc(C2N=C(c3cccnc3-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)Nc3ccccc32)cc1
InChIInChI=1S/C44H29N3O/c1-2-13-28(14-3-1)42-32-17-6-10-22-38(32)46-43(47-42)33-18-12-26-45-41(33)29-24-25-37-40(27-29)48-39-23-11-9-21-36(39)44(37)34-19-7-4-15-30(34)31-16-5-8-20-35(31)44/h1-27,42H,(H,46,47)
InChIKeyHTBNCONIGMEJEO-UHFFFAOYSA-N
XLogP10.18
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 510.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,4-dihydroquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-(9,9-dimethylxanthen-3-yl)phenyl]phenyl]-4-phenyl-1,4-dihydroquinazoline
CID 166908714
5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880673
4-phenyl-6-(2-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 148834800
2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 137389231
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine
CID 146322030
8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 137388424
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
4-phenyl-2-spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-yl-1,4-dihydroquinazoline
CID 163412132
4,6-bis(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 137388370
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389326
4-phenyl-6-pyridin-2-yl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 130379889
3'-(2-isocyanophenyl)spiro[fluorene-9,9'-xanthene]
CID 140947233

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,4-dihydroquinazoline?
The IUPAC name of 4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,4-dihydroquinazoline (CID 163627253) is 4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,4-dihydroquinazoline.
What is the SMILES notation for 4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,4-dihydroquinazoline?
The canonical SMILES for 4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,4-dihydroquinazoline is c1ccc(C2N=C(c3cccnc3-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)Nc3ccccc32)cc1.
What is the InChIKey of 4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,4-dihydroquinazoline?
The InChIKey is HTBNCONIGMEJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O/c1-2-13-28(14-3-1)42-32-17-6-10-22-38(32)46-43(47-42)33-18-12-26-45-41(33)29-24-25-37-40(27-29)48-39-23-11-9-21-36(39)44(37)34-19-7-4-15-30(34)31-16-5-8-20-35(31)44/h1-27,42H,(H,46,47).
What are the key properties of 4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,4-dihydroquinazoline?
4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,4-dihydroquinazoline has a molecular weight of 615.74 g/mol, XLogP of 10.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,4-dihydroquinazoline is sourced from PubChem (CID 163627253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).