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

C42H26N4O — CID 45276791

IUPAC6-[4-(4-indolo[1,2-c]quinazolin-6-ylphenoxy)phenyl]indolo[1,2-c]quinazoline
SMILESc1ccc2c(c1)cc1c3ccccc3nc(-c3ccc(Oc4ccc(-c5nc6ccccc6c6cc7ccccc7n56)cc4)cc3)n21
InChIInChI=1S/C42H26N4O/c1-7-15-37-29(9-1)25-39-33-11-3-5-13-35(33)43-41(45(37)39)27-17-21-31(22-18-27)47-32-23-19-28(20-24-32)42-44-36-14-6-4-12-34(36)40-26-30-10-2-8-16-38(30)46(40)42/h1-26H
InChIKeyCDQWZUMQTPEBPC-UHFFFAOYSA-N
MW602.70 g/mol
LogP10.72
Rot. Bonds4

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

6-[4-(4-indolo[1,2-c]quinazolin-6-ylphenoxy)phenyl]indolo[1,2-c]quinazoline (PubChem CID 45276791) has the molecular formula C42H26N4O and a molecular weight of 602.70 g/mol. Its IUPAC name is 6-[4-(4-indolo[1,2-c]quinazolin-6-ylphenoxy)phenyl]indolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[4-(4-indolo[1,2-c]quinazolin-6-ylphenoxy)phenyl]indolo[1,2-c]quinazoline
PubChem CID45276791
Molecular FormulaC42H26N4O
Molecular Weight602.70 g/mol
Exact Mass602.21
IUPAC Name6-[4-(4-indolo[1,2-c]quinazolin-6-ylphenoxy)phenyl]indolo[1,2-c]quinazoline
SMILESc1ccc2c(c1)cc1c3ccccc3nc(-c3ccc(Oc4ccc(-c5nc6ccccc6c6cc7ccccc7n56)cc4)cc3)n21
InChIInChI=1S/C42H26N4O/c1-7-15-37-29(9-1)25-39-33-11-3-5-13-35(33)43-41(45(37)39)27-17-21-31(22-18-27)47-32-23-19-28(20-24-32)42-44-36-14-6-4-12-34(36)40-26-30-10-2-8-16-38(30)46(40)42/h1-26H
InChIKeyCDQWZUMQTPEBPC-UHFFFAOYSA-N
XLogP10.72
TPSA43.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.70
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-indolo[1,2-c]quinazolin-6-ylphenoxy)phenyl]indolo[1,2-c]quinazoline?
The IUPAC name of 6-[4-(4-indolo[1,2-c]quinazolin-6-ylphenoxy)phenyl]indolo[1,2-c]quinazoline (CID 45276791) is 6-[4-(4-indolo[1,2-c]quinazolin-6-ylphenoxy)phenyl]indolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[4-(4-indolo[1,2-c]quinazolin-6-ylphenoxy)phenyl]indolo[1,2-c]quinazoline?
The canonical SMILES for 6-[4-(4-indolo[1,2-c]quinazolin-6-ylphenoxy)phenyl]indolo[1,2-c]quinazoline is c1ccc2c(c1)cc1c3ccccc3nc(-c3ccc(Oc4ccc(-c5nc6ccccc6c6cc7ccccc7n56)cc4)cc3)n21.
What is the InChIKey of 6-[4-(4-indolo[1,2-c]quinazolin-6-ylphenoxy)phenyl]indolo[1,2-c]quinazoline?
The InChIKey is CDQWZUMQTPEBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O/c1-7-15-37-29(9-1)25-39-33-11-3-5-13-35(33)43-41(45(37)39)27-17-21-31(22-18-27)47-32-23-19-28(20-24-32)42-44-36-14-6-4-12-34(36)40-26-30-10-2-8-16-38(30)46(40)42/h1-26H.
What are the key properties of 6-[4-(4-indolo[1,2-c]quinazolin-6-ylphenoxy)phenyl]indolo[1,2-c]quinazoline?
6-[4-(4-indolo[1,2-c]quinazolin-6-ylphenoxy)phenyl]indolo[1,2-c]quinazoline has a molecular weight of 602.70 g/mol, XLogP of 10.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-indolo[1,2-c]quinazolin-6-ylphenoxy)phenyl]indolo[1,2-c]quinazoline is sourced from PubChem (CID 45276791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).