ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione

C41H30N4O2 — CID 156863036

IUPACethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione
SMILESCC.O=c1c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2n2c(=O)c3ccccc3nc2n1-c1ccccc1
InChIInChI=1S/C39H24N4O2.C2H6/c44-37-30-16-7-9-17-33(30)40-39-42(28-13-5-2-6-14-28)38(45)32-24-26(20-22-36(32)43(37)39)25-19-21-35-31(23-25)29-15-8-10-18-34(29)41(35)27-11-3-1-4-12-27;1-2/h1-24H;1-2H3
InChIKeyOLSTZKLSNPFDMH-UHFFFAOYSA-N
MW610.72 g/mol
LogP8.94
Rot. Bonds3

About ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione

ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione (PubChem CID 156863036) has the molecular formula C41H30N4O2 and a molecular weight of 610.72 g/mol. Its IUPAC name is ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione.

Molecular Properties

Compound Nameethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione
PubChem CID156863036
Molecular FormulaC41H30N4O2
Molecular Weight610.72 g/mol
Exact Mass610.24
IUPAC Nameethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione
SMILESCC.O=c1c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2n2c(=O)c3ccccc3nc2n1-c1ccccc1
InChIInChI=1S/C39H24N4O2.C2H6/c44-37-30-16-7-9-17-33(30)40-39-42(28-13-5-2-6-14-28)38(45)32-24-26(20-22-36(32)43(37)39)25-19-21-35-31(23-25)29-15-8-10-18-34(29)41(35)27-11-3-1-4-12-27;1-2/h1-24H;1-2H3
InChIKeyOLSTZKLSNPFDMH-UHFFFAOYSA-N
XLogP8.94
TPSA61.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

6-phenyl-3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863159
3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one
CID 164913455
14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one
CID 165126101
2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
CID 121247295
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinazolin-5-one
CID 163720312
6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863089
6-phenyl-7-(9-phenylcarbazol-3-yl)indolo[1,2-a]quinazolin-5-one
CID 163734590
6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one
CID 163539997
4-(9-phenylcarbazol-3-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 149202227
6-phenyl-10-(9-phenylcarbazol-3-yl)quinazolino[1,2-c]quinazolin-13-one
CID 171448156
10-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,9-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-one
CID 146647834
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483

Frequently Asked Questions

What is the IUPAC name of ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione?
The IUPAC name of ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione (CID 156863036) is ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione.
What is the SMILES notation for ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione?
The canonical SMILES for ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione is CC.O=c1c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2n2c(=O)c3ccccc3nc2n1-c1ccccc1.
What is the InChIKey of ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione?
The InChIKey is OLSTZKLSNPFDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O2.C2H6/c44-37-30-16-7-9-17-33(30)40-39-42(28-13-5-2-6-14-28)38(45)32-24-26(20-22-36(32)43(37)39)25-19-21-35-31(23-25)29-15-8-10-18-34(29)41(35)27-11-3-1-4-12-27;1-2/h1-24H;1-2H3.
What are the key properties of ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione?
ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione has a molecular weight of 610.72 g/mol, XLogP of 8.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione is sourced from PubChem (CID 156863036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).