6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline

C41H26N4 — CID 145180162

IUPAC6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5nc6ccccc6n6c5cc5ccccc56)c4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C41H26N4/c1-2-11-27(12-3-1)28-21-23-29(24-22-28)39-33-16-5-6-17-34(33)43-41(44-39)32-15-10-14-31(25-32)40-38-26-30-13-4-8-19-36(30)45(38)37-20-9-7-18-35(37)42-40/h1-26H
InChIKeyHGDZHRBOWKILRD-UHFFFAOYSA-N
MW574.69 g/mol
LogP10.25
Rot. Bonds4

About 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline

6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline (PubChem CID 145180162) has the molecular formula C41H26N4 and a molecular weight of 574.69 g/mol. Its IUPAC name is 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline
PubChem CID145180162
Molecular FormulaC41H26N4
Molecular Weight574.69 g/mol
Exact Mass574.22
IUPAC Name6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5nc6ccccc6n6c5cc5ccccc56)c4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C41H26N4/c1-2-11-27(12-3-1)28-21-23-29(24-22-28)39-33-16-5-6-17-34(33)43-41(44-39)32-15-10-14-31(25-32)40-38-26-30-13-4-8-19-36(30)45(38)37-20-9-7-18-35(37)42-40/h1-26H
InChIKeyHGDZHRBOWKILRD-UHFFFAOYSA-N
XLogP10.25
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.69
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180197
6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline
CID 145180354
6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180375
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180126
26-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432173
2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
CID 144856190
22-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475317
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline
CID 145180592
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline?
The IUPAC name of 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline (CID 145180162) is 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline.
What is the SMILES notation for 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline?
The canonical SMILES for 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5nc6ccccc6n6c5cc5ccccc56)c4)nc4ccccc34)cc2)cc1.
What is the InChIKey of 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline?
The InChIKey is HGDZHRBOWKILRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4/c1-2-11-27(12-3-1)28-21-23-29(24-22-28)39-33-16-5-6-17-34(33)43-41(44-39)32-15-10-14-31(25-32)40-38-26-30-13-4-8-19-36(30)45(38)37-20-9-7-18-35(37)42-40/h1-26H.
What are the key properties of 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline?
6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline has a molecular weight of 574.69 g/mol, XLogP of 10.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline is sourced from PubChem (CID 145180162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).