2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline

C42H28N4 — CID 137395005

IUPAC2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline
SMILESc1ccc(-c2c(-c3c(-c4ccccc4)n(-c4ncc5ccccc5n4)c4ccccc34)c3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C42H28N4/c1-4-16-29(17-5-1)40-38(33-23-11-14-26-36(33)45(40)32-21-8-3-9-22-32)39-34-24-12-15-27-37(34)46(41(39)30-18-6-2-7-19-30)42-43-28-31-20-10-13-25-35(31)44-42/h1-28H
InChIKeyRZGKGBXDBIJPMY-UHFFFAOYSA-N
MW588.71 g/mol
LogP10.52
Rot. Bonds5

About 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline

2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline (PubChem CID 137395005) has the molecular formula C42H28N4 and a molecular weight of 588.71 g/mol. Its IUPAC name is 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline.

Molecular Properties

Compound Name2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline
PubChem CID137395005
Molecular FormulaC42H28N4
Molecular Weight588.71 g/mol
Exact Mass588.23
IUPAC Name2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline
SMILESc1ccc(-c2c(-c3c(-c4ccccc4)n(-c4ncc5ccccc5n4)c4ccccc34)c3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C42H28N4/c1-4-16-29(17-5-1)40-38(33-23-11-14-26-36(33)45(40)32-21-8-3-9-22-32)39-34-24-12-15-27-37(34)46(41(39)30-18-6-2-7-19-30)42-43-28-31-20-10-13-25-35(31)44-42/h1-28H
InChIKeyRZGKGBXDBIJPMY-UHFFFAOYSA-N
XLogP10.52
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-phenyl-22-quinazolin-2-yl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene
CID 122465132
2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline
CID 129085638
12-phenyl-16-quinazolin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 122465151
24-phenyl-3-quinazolin-2-yl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122465139
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
9-phenyl-23-quinazolin-2-yl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 122465142
3-(1,2-diphenylindol-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylindole;3-(1,2-diphenylindol-3-yl)-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylindole;2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]-4-phenylquinazoline;2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline;1,2-diphenyl-3-[2-phenyl-1-(6-phenylpyrazin-2-yl)indol-3-yl]indole;1,2-diphenyl-3-[2-phenyl-1-[3-(6-phenyl-2-pyridinyl)phenyl]indol-3-yl]indole;1,2-diphenyl-3-[2-phenyl-1-(2-phenylpyrimidin-5-yl)indol-3-yl]indole;1,2-diphenyl-3-(2-phenyl-1-pyrimidin-5-ylindol-3-yl)indole
CID 161440100
1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole
CID 90062529
3-phenyl-9-quinazolin-2-ylpyrrolo[3,2-b]carbazole
CID 90062396
2-(1,2-diphenylindol-3-yl)-1H-benzimidazole
CID 20634023
15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene
CID 122523957
1,2,3-triphenylbenzo[f]indole
CID 102138150

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline?
The IUPAC name of 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline (CID 137395005) is 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline.
What is the SMILES notation for 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline?
The canonical SMILES for 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline is c1ccc(-c2c(-c3c(-c4ccccc4)n(-c4ncc5ccccc5n4)c4ccccc34)c3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline?
The InChIKey is RZGKGBXDBIJPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4/c1-4-16-29(17-5-1)40-38(33-23-11-14-26-36(33)45(40)32-21-8-3-9-22-32)39-34-24-12-15-27-37(34)46(41(39)30-18-6-2-7-19-30)42-43-28-31-20-10-13-25-35(31)44-42/h1-28H.
What are the key properties of 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline?
2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline has a molecular weight of 588.71 g/mol, XLogP of 10.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline is sourced from PubChem (CID 137395005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).