11-(5,6-dihydronaphthalen-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-c]quinoline

C47H32N4 — CID 146480844

IUPAC11-(5,6-dihydronaphthalen-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-c]quinoline
SMILESC1=Cc2cc(-n3c4ccccc4c4c(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)nc5ccccc5c43)ccc2CC1
InChIInChI=1S/C47H32N4/c1-3-14-32(15-4-1)41-30-42(50-47(49-41)35-16-5-2-6-17-35)33-23-25-34(26-24-33)45-44-39-20-10-12-22-43(39)51(46(44)38-19-9-11-21-40(38)48-45)37-28-27-31-13-7-8-18-36(31)29-37/h1-6,8-12,14-30H,7,13H2
InChIKeyIAHRPDIHIGYMKY-UHFFFAOYSA-N
MW652.80 g/mol
LogP11.75
Rot. Bonds5

About 11-(5,6-dihydronaphthalen-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-c]quinoline

11-(5,6-dihydronaphthalen-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-c]quinoline (PubChem CID 146480844) has the molecular formula C47H32N4 and a molecular weight of 652.80 g/mol. Its IUPAC name is 11-(5,6-dihydronaphthalen-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-c]quinoline.

Molecular Properties

Compound Name11-(5,6-dihydronaphthalen-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-c]quinoline
PubChem CID146480844
Molecular FormulaC47H32N4
Molecular Weight652.80 g/mol
Exact Mass652.26
IUPAC Name11-(5,6-dihydronaphthalen-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-c]quinoline
SMILESC1=Cc2cc(-n3c4ccccc4c4c(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)nc5ccccc5c43)ccc2CC1
InChIInChI=1S/C47H32N4/c1-3-14-32(15-4-1)41-30-42(50-47(49-41)35-16-5-2-6-17-35)33-23-25-34(26-24-33)45-44-39-20-10-12-22-43(39)51(46(44)38-19-9-11-21-40(38)48-45)37-28-27-31-13-7-8-18-36(31)29-37/h1-6,8-12,14-30H,7,13H2
InChIKeyIAHRPDIHIGYMKY-UHFFFAOYSA-N
XLogP11.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-(5,6-dihydronaphthalen-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-c]quinoline?
The IUPAC name of 11-(5,6-dihydronaphthalen-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-c]quinoline (CID 146480844) is 11-(5,6-dihydronaphthalen-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-c]quinoline.
What is the SMILES notation for 11-(5,6-dihydronaphthalen-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-c]quinoline?
The canonical SMILES for 11-(5,6-dihydronaphthalen-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-c]quinoline is C1=Cc2cc(-n3c4ccccc4c4c(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)nc5ccccc5c43)ccc2CC1.
What is the InChIKey of 11-(5,6-dihydronaphthalen-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-c]quinoline?
The InChIKey is IAHRPDIHIGYMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4/c1-3-14-32(15-4-1)41-30-42(50-47(49-41)35-16-5-2-6-17-35)33-23-25-34(26-24-33)45-44-39-20-10-12-22-43(39)51(46(44)38-19-9-11-21-40(38)48-45)37-28-27-31-13-7-8-18-36(31)29-37/h1-6,8-12,14-30H,7,13H2.
What are the key properties of 11-(5,6-dihydronaphthalen-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-c]quinoline?
11-(5,6-dihydronaphthalen-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-c]quinoline has a molecular weight of 652.80 g/mol, XLogP of 11.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5,6-dihydronaphthalen-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-c]quinoline is sourced from PubChem (CID 146480844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).