5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-c]carbazole-12,9'-xanthene]

C45H27N3O — CID 129133162

IUPAC5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-c]carbazole-12,9'-xanthene]
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5c(ccc43)-c3ccccc3C53c4ccccc4Oc4ccccc43)nc3ccccc23)cc1
InChIInChI=1S/C45H27N3O/c1-2-14-28(15-3-1)43-31-17-5-10-22-36(31)46-44(47-43)48-37-23-11-6-18-32(37)41-38(48)27-26-30-29-16-4-7-19-33(29)45(42(30)41)34-20-8-12-24-39(34)49-40-25-13-9-21-35(40)45/h1-27H
InChIKeyXPFLMKXWBPJRNL-UHFFFAOYSA-N
MW625.73 g/mol
LogP10.86
Rot. Bonds2

About 5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-c]carbazole-12,9'-xanthene]

5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-c]carbazole-12,9'-xanthene] (PubChem CID 129133162) 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-c]carbazole-12,9'-xanthene].

Molecular Properties

Compound Name5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-c]carbazole-12,9'-xanthene]
PubChem CID129133162
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-c]carbazole-12,9'-xanthene]
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5c(ccc43)-c3ccccc3C53c4ccccc4Oc4ccccc43)nc3ccccc23)cc1
InChIInChI=1S/C45H27N3O/c1-2-14-28(15-3-1)43-31-17-5-10-22-36(31)46-44(47-43)48-37-23-11-6-18-32(37)41-38(48)27-26-30-29-16-4-7-19-33(29)45(42(30)41)34-20-8-12-24-39(34)49-40-25-13-9-21-35(40)45/h1-27H
InChIKeyXPFLMKXWBPJRNL-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

5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene]
CID 129133161
4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
CID 139306525
4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
CID 139306839
CID 134551656
CID 134551656
9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]
CID 156560140
17,17-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122464909
10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine
CID 134432123
27-(4-phenylquinazolin-2-yl)-27-azaheptacyclo[12.11.1.16,9.02,7.08,13.016,21.022,26]heptacosa-1(25),2(7),3,5,8(13),9,11,14,16,18,20,22(26),23-tridecaene
CID 164840623
10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole
CID 129194138
15-(6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,23.024,29]nonacosa-1(17),2(14),3,5(13),7,9,11,15,18,20,22,24,26,28-tetradecaen-6-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 154597919
12-phenyl-5-[4-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-2-yl]indolo[3,2-c]carbazole
CID 154596201
4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-c]carbazole-12,9'-xanthene]?
The IUPAC name of 5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-c]carbazole-12,9'-xanthene] (CID 129133162) is 5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-c]carbazole-12,9'-xanthene].
What is the SMILES notation for 5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-c]carbazole-12,9'-xanthene]?
The canonical SMILES for 5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-c]carbazole-12,9'-xanthene] is c1ccc(-c2nc(-n3c4ccccc4c4c5c(ccc43)-c3ccccc3C53c4ccccc4Oc4ccccc43)nc3ccccc23)cc1.
What is the InChIKey of 5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-c]carbazole-12,9'-xanthene]?
The InChIKey is XPFLMKXWBPJRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-2-14-28(15-3-1)43-31-17-5-10-22-36(31)46-44(47-43)48-37-23-11-6-18-32(37)41-38(48)27-26-30-29-16-4-7-19-33(29)45(42(30)41)34-20-8-12-24-39(34)49-40-25-13-9-21-35(40)45/h1-27H.
What are the key properties of 5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-c]carbazole-12,9'-xanthene]?
5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-c]carbazole-12,9'-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-c]carbazole-12,9'-xanthene] is sourced from PubChem (CID 129133162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).