4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline

C39H24N2O — CID 139306525

IUPAC4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
SMILESc1ccc(-c2nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)nc3ccccc23)cc1
InChIInChI=1S/C39H24N2O/c1-2-13-25(14-3-1)37-28-16-5-9-22-33(28)40-38(41-37)29-18-12-17-27-26-15-4-6-19-30(26)39(36(27)29)31-20-7-10-23-34(31)42-35-24-11-8-21-32(35)39/h1-24H
InChIKeyKYRDKKOITGHAKE-UHFFFAOYSA-N
MW536.63 g/mol
LogP9.43
Rot. Bonds2

About 4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline

4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline (PubChem CID 139306525) has the molecular formula C39H24N2O and a molecular weight of 536.63 g/mol. Its IUPAC name is 4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline.

Molecular Properties

Compound Name4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
PubChem CID139306525
Molecular FormulaC39H24N2O
Molecular Weight536.63 g/mol
Exact Mass536.19
IUPAC Name4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
SMILESc1ccc(-c2nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)nc3ccccc23)cc1
InChIInChI=1S/C39H24N2O/c1-2-13-25(14-3-1)37-28-16-5-9-22-33(28)40-38(41-37)29-18-12-17-27-26-15-4-6-19-30(26)39(36(27)29)31-20-7-10-23-34(31)42-35-24-11-8-21-32(35)39/h1-24H
InChIKeyKYRDKKOITGHAKE-UHFFFAOYSA-N
XLogP9.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.63
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
CID 139306839
4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744
4-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)quinazoline
CID 139306700
CID 146184411
CID 146184411
6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855212
2-phenyl-4-(4-spiro[2-oxapentacyclo[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]-1'-ylphenyl)quinazoline
CID 139306367
2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)-4-(4-phenylphenyl)quinazoline
CID 138573837
5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-c]carbazole-12,9'-xanthene]
CID 129133162
4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;2-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline
CID 159835450
7-[6'-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline
CID 155304735
9-[3-[4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole;9-[4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole;9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(2-spiro[fluorene-9,9'-xanthene]-1-ylquinazolin-4-yl)phenyl]carbazole;9-[4-(4-spiro[fluorene-9,9'-xanthene]-1-ylquinazolin-2-yl)phenyl]carbazole
CID 159620687
4-phenyl-2-[3-[6'-[3-[phenyl-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phosphoryl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]quinazoline
CID 146343003

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline?
The IUPAC name of 4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline (CID 139306525) is 4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline.
What is the SMILES notation for 4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline?
The canonical SMILES for 4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline is c1ccc(-c2nc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)nc3ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline?
The InChIKey is KYRDKKOITGHAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2O/c1-2-13-25(14-3-1)37-28-16-5-9-22-33(28)40-38(41-37)29-18-12-17-27-26-15-4-6-19-30(26)39(36(27)29)31-20-7-10-23-34(31)42-35-24-11-8-21-32(35)39/h1-24H.
What are the key properties of 4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline?
4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline has a molecular weight of 536.63 g/mol, XLogP of 9.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline is sourced from PubChem (CID 139306525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).