5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene]

C45H27N3O — CID 129133161

IUPAC5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene]
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C53c4ccccc4Oc4ccccc43)nc3ccccc23)cc1
InChIInChI=1S/C45H27N3O/c1-2-14-28(15-3-1)43-31-18-5-10-22-38(31)46-44(47-43)48-39-23-11-6-17-30(39)33-26-37-32(27-40(33)48)29-16-4-7-19-34(29)45(37)35-20-8-12-24-41(35)49-42-25-13-9-21-36(42)45/h1-27H
InChIKeyXPWZSKUPZNAOCD-UHFFFAOYSA-N
MW625.73 g/mol
LogP10.86
Rot. Bonds2

About 5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene]

5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene] (PubChem CID 129133161) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene].

Molecular Properties

Compound Name5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene]
PubChem CID129133161
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene]
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C53c4ccccc4Oc4ccccc43)nc3ccccc23)cc1
InChIInChI=1S/C45H27N3O/c1-2-14-28(15-3-1)43-31-18-5-10-22-38(31)46-44(47-43)48-39-23-11-6-17-30(39)33-26-37-32(27-40(33)48)29-16-4-7-19-34(29)45(37)35-20-8-12-24-41(35)49-42-25-13-9-21-36(42)45/h1-27H
InChIKeyXPWZSKUPZNAOCD-UHFFFAOYSA-N
XLogP10.86
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 134551656
CID 134551656
5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288387
5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-c]carbazole-12,9'-xanthene]
CID 129133162
CID 162258827
CID 162258827
16,16-dimethyl-10-(4-phenylquinazolin-2-yl)-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene
CID 122464915
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288850
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288845
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343
21-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 146615620
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 156559689

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene]?
The IUPAC name of 5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene] (CID 129133161) is 5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene].
What is the SMILES notation for 5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene]?
The canonical SMILES for 5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene] is c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C53c4ccccc4Oc4ccccc43)nc3ccccc23)cc1.
What is the InChIKey of 5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene]?
The InChIKey is XPWZSKUPZNAOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-2-14-28(15-3-1)43-31-18-5-10-22-38(31)46-44(47-43)48-39-23-11-6-17-30(39)33-26-37-32(27-40(33)48)29-16-4-7-19-34(29)45(37)35-20-8-12-24-41(35)49-42-25-13-9-21-36(42)45/h1-27H.
What are the key properties of 5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene]?
5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene] has a molecular weight of 625.73 g/mol, XLogP of 10.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene] is sourced from PubChem (CID 129133161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).