6-(3-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline

C36H22N4 — CID 45276940

IUPAC6-(3-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline
SMILESc1cc(-c2nc3ccccc3c3cc4ccccc4n23)cc(-c2nc3ccccc3c3cc4ccccc4n23)c1
InChIInChI=1S/C36H22N4/c1-7-18-31-23(10-1)21-33-27-14-3-5-16-29(27)37-35(39(31)33)25-12-9-13-26(20-25)36-38-30-17-6-4-15-28(30)34-22-24-11-2-8-19-32(24)40(34)36/h1-22H
InChIKeyOSPQTPJTYGGZKN-UHFFFAOYSA-N
MW510.60 g/mol
LogP8.93
Rot. Bonds2

About 6-(3-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline

6-(3-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline (PubChem CID 45276940) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 6-(3-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-(3-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline
PubChem CID45276940
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name6-(3-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline
SMILESc1cc(-c2nc3ccccc3c3cc4ccccc4n23)cc(-c2nc3ccccc3c3cc4ccccc4n23)c1
InChIInChI=1S/C36H22N4/c1-7-18-31-23(10-1)21-33-27-14-3-5-16-29(27)37-35(39(31)33)25-12-9-13-26(20-25)36-38-30-17-6-4-15-28(30)34-22-24-11-2-8-19-32(24)40(34)36/h1-22H
InChIKeyOSPQTPJTYGGZKN-UHFFFAOYSA-N
XLogP8.93
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline?
The IUPAC name of 6-(3-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline (CID 45276940) is 6-(3-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline.
What is the SMILES notation for 6-(3-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline?
The canonical SMILES for 6-(3-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline is c1cc(-c2nc3ccccc3c3cc4ccccc4n23)cc(-c2nc3ccccc3c3cc4ccccc4n23)c1.
What is the InChIKey of 6-(3-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline?
The InChIKey is OSPQTPJTYGGZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c1-7-18-31-23(10-1)21-33-27-14-3-5-16-29(27)37-35(39(31)33)25-12-9-13-26(20-25)36-38-30-17-6-4-15-28(30)34-22-24-11-2-8-19-32(24)40(34)36/h1-22H.
What are the key properties of 6-(3-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline?
6-(3-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline has a molecular weight of 510.60 g/mol, XLogP of 8.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline is sourced from PubChem (CID 45276940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).