4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline

C45H28N2O — CID 139306839

IUPAC4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c4C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)nc4ccccc34)cc2)cc1
InChIInChI=1S/C45H28N2O/c1-2-13-29(14-3-1)30-25-27-31(28-26-30)43-34-16-5-9-22-39(34)46-44(47-43)35-18-12-17-33-32-15-4-6-19-36(32)45(42(33)35)37-20-7-10-23-40(37)48-41-24-11-8-21-38(41)45/h1-28H
InChIKeySQOLJAFYOVHSGY-UHFFFAOYSA-N
MW612.73 g/mol
LogP11.10
Rot. Bonds3

About 4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline

4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline (PubChem CID 139306839) has the molecular formula C45H28N2O and a molecular weight of 612.73 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline.

Molecular Properties

Compound Name4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
PubChem CID139306839
Molecular FormulaC45H28N2O
Molecular Weight612.73 g/mol
Exact Mass612.22
IUPAC Name4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c4C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)nc4ccccc34)cc2)cc1
InChIInChI=1S/C45H28N2O/c1-2-13-29(14-3-1)30-25-27-31(28-26-30)43-34-16-5-9-22-39(34)46-44(47-43)35-18-12-17-33-32-15-4-6-19-36(32)45(42(33)35)37-20-7-10-23-40(37)48-41-24-11-8-21-38(41)45/h1-28H
InChIKeySQOLJAFYOVHSGY-UHFFFAOYSA-N
XLogP11.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.73
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
CID 139306525
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
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
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
6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855212
2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 149001752
2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine
CID 154596998
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
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline?
The IUPAC name of 4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline (CID 139306839) is 4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline.
What is the SMILES notation for 4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline?
The canonical SMILES for 4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline is c1ccc(-c2ccc(-c3nc(-c4cccc5c4C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)nc4ccccc34)cc2)cc1.
What is the InChIKey of 4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline?
The InChIKey is SQOLJAFYOVHSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2O/c1-2-13-29(14-3-1)30-25-27-31(28-26-30)43-34-16-5-9-22-39(34)46-44(47-43)35-18-12-17-33-32-15-4-6-19-36(32)45(42(33)35)37-20-7-10-23-40(37)48-41-24-11-8-21-38(41)45/h1-28H.
What are the key properties of 4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline?
4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline has a molecular weight of 612.73 g/mol, XLogP of 11.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline is sourced from PubChem (CID 139306839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).