5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]

C51H33N3O — CID 118880673

IUPAC5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(C2N=C(c3cccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5Oc5ccccc54)c4ccccc4-6)c3)Nc3ccccc32)cc1
InChIInChI=1S/C51H33N3O/c1-2-15-32(16-3-1)49-37-21-5-10-25-44(37)52-50(53-49)33-17-14-18-34(29-33)54-45-26-11-6-20-36(45)39-30-38-35-19-4-7-22-40(35)51(43(38)31-46(39)54)41-23-8-12-27-47(41)55-48-28-13-9-24-42(48)51/h1-31,49H,(H,52,53)
InChIKeyFVINBNRYZQIDCX-UHFFFAOYSA-N
MW703.85 g/mol
LogP12.21
Rot. Bonds3

About 5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]

5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene] (PubChem CID 118880673) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene].

Molecular Properties

Compound Name5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
PubChem CID118880673
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(C2N=C(c3cccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5Oc5ccccc54)c4ccccc4-6)c3)Nc3ccccc32)cc1
InChIInChI=1S/C51H33N3O/c1-2-15-32(16-3-1)49-37-21-5-10-25-44(37)52-50(53-49)33-17-14-18-34(29-33)54-45-26-11-6-20-36(45)39-30-38-35-19-4-7-22-40(35)51(43(38)31-46(39)54)41-23-8-12-27-47(41)55-48-28-13-9-24-42(48)51/h1-31,49H,(H,52,53)
InChIKeyFVINBNRYZQIDCX-UHFFFAOYSA-N
XLogP12.21
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 512.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene] 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

5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288850
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 156559689
4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-yl-3-pyridinyl)-1,4-dihydroquinazoline
CID 163627253
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288387
9-[3-[2-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 146322027
5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 89472005
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
CID 130327359
7,7-dimethyl-5-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole
CID 139567879

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The IUPAC name of 5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene] (CID 118880673) is 5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene].
What is the SMILES notation for 5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The canonical SMILES for 5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene] is c1ccc(C2N=C(c3cccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5Oc5ccccc54)c4ccccc4-6)c3)Nc3ccccc32)cc1.
What is the InChIKey of 5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The InChIKey is FVINBNRYZQIDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-2-15-32(16-3-1)49-37-21-5-10-25-44(37)52-50(53-49)33-17-14-18-34(29-33)54-45-26-11-6-20-36(45)39-30-38-35-19-4-7-22-40(35)51(43(38)31-46(39)54)41-23-8-12-27-47(41)55-48-28-13-9-24-42(48)51/h1-31,49H,(H,52,53).
What are the key properties of 5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene] has a molecular weight of 703.85 g/mol, XLogP of 12.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene] is sourced from PubChem (CID 118880673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).