6-(4-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline

C36H22N4 — CID 45276941

IUPAC6-(4-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline
SMILESc1ccc2c(c1)cc1c3ccccc3nc(-c3ccc(-c4nc5ccccc5c5cc6ccccc6n45)cc3)n21
InChIInChI=1S/C36H22N4/c1-7-15-31-25(9-1)21-33-27-11-3-5-13-29(27)37-35(39(31)33)23-17-19-24(20-18-23)36-38-30-14-6-4-12-28(30)34-22-26-10-2-8-16-32(26)40(34)36/h1-22H
InChIKeyINBUSVRDNOOZKU-UHFFFAOYSA-N
MW510.60 g/mol
LogP8.93
Rot. Bonds2

About 6-(4-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline

6-(4-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline (PubChem CID 45276941) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 6-(4-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-(4-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline
PubChem CID45276941
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name6-(4-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline
SMILESc1ccc2c(c1)cc1c3ccccc3nc(-c3ccc(-c4nc5ccccc5c5cc6ccccc6n45)cc3)n21
InChIInChI=1S/C36H22N4/c1-7-15-31-25(9-1)21-33-27-11-3-5-13-29(27)37-35(39(31)33)23-17-19-24(20-18-23)36-38-30-14-6-4-12-28(30)34-22-26-10-2-8-16-32(26)40(34)36/h1-22H
InChIKeyINBUSVRDNOOZKU-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-(4-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline?
The IUPAC name of 6-(4-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline (CID 45276941) is 6-(4-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline.
What is the SMILES notation for 6-(4-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline?
The canonical SMILES for 6-(4-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline is c1ccc2c(c1)cc1c3ccccc3nc(-c3ccc(-c4nc5ccccc5c5cc6ccccc6n45)cc3)n21.
What is the InChIKey of 6-(4-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline?
The InChIKey is INBUSVRDNOOZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c1-7-15-31-25(9-1)21-33-27-11-3-5-13-29(27)37-35(39(31)33)23-17-19-24(20-18-23)36-38-30-14-6-4-12-28(30)34-22-26-10-2-8-16-32(26)40(34)36/h1-22H.
What are the key properties of 6-(4-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline?
6-(4-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-(4-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2-c]quinazoline is sourced from PubChem (CID 45276941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).