10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole

C28H18N4 — CID 139407423

IUPAC10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole
SMILESc1ccc(-c2nc(-n3c4ccccc4n4c5ccccc5cc34)nc3ccccc23)cc1
InChIInChI=1S/C28H18N4/c1-2-10-19(11-3-1)27-21-13-5-6-14-22(21)29-28(30-27)32-25-17-9-8-16-24(25)31-23-15-7-4-12-20(23)18-26(31)32/h1-18H
InChIKeyHULGKEUAXLMCTD-UHFFFAOYSA-N
MW410.48 g/mol
LogP6.65
Rot. Bonds2

About 10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole

10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole (PubChem CID 139407423) has the molecular formula C28H18N4 and a molecular weight of 410.48 g/mol. Its IUPAC name is 10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole
PubChem CID139407423
Molecular FormulaC28H18N4
Molecular Weight410.48 g/mol
Exact Mass410.15
IUPAC Name10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole
SMILESc1ccc(-c2nc(-n3c4ccccc4n4c5ccccc5cc34)nc3ccccc23)cc1
InChIInChI=1S/C28H18N4/c1-2-10-19(11-3-1)27-21-13-5-6-14-22(21)29-28(30-27)32-25-17-9-8-16-24(25)31-23-15-7-4-12-20(23)18-26(31)32/h1-18H
InChIKeyHULGKEUAXLMCTD-UHFFFAOYSA-N
XLogP6.65
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-a]benzimidazole
CID 139407350
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-indolo[1,2-a]benzimidazol-10-ylindolo[1,2-a]benzimidazole;10-(4-naphthalen-1-ylquinazolin-2-yl)indolo[1,2-a]benzimidazole;10-(4-naphthalen-2-ylquinazolin-2-yl)indolo[1,2-a]benzimidazole;10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole
CID 159420352
20-(4-phenylquinazolin-2-yl)-1,20-diazaheptacyclo[13.11.2.02,11.03,8.012,27.019,28.021,26]octacosa-2(11),3,5,7,9,12(27),13,15(28),16,18,21,23,25-tridecaene
CID 170381294
9,15-diphenyl-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999013
10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole
CID 139407585
16-(4-phenylquinazolin-2-yl)-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene
CID 135212378
2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838
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
9,15-diphenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999012
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene
CID 170127189

Frequently Asked Questions

What is the IUPAC name of 10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole?
The IUPAC name of 10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole (CID 139407423) is 10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole.
What is the SMILES notation for 10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole?
The canonical SMILES for 10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole is c1ccc(-c2nc(-n3c4ccccc4n4c5ccccc5cc34)nc3ccccc23)cc1.
What is the InChIKey of 10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole?
The InChIKey is HULGKEUAXLMCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4/c1-2-10-19(11-3-1)27-21-13-5-6-14-22(21)29-28(30-27)32-25-17-9-8-16-24(25)31-23-15-7-4-12-20(23)18-26(31)32/h1-18H.
What are the key properties of 10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole?
10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole has a molecular weight of 410.48 g/mol, XLogP of 6.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole is sourced from PubChem (CID 139407423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).