7-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-c]quinoline

C53H34N4 — CID 156551675

IUPAC7-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-c]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5nc6ccccc6c6c7ccccc7n(-c7ccccc7)c56)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C53H34N4/c1-4-16-35(17-5-1)36-28-30-38(31-29-36)48-34-47(37-18-6-2-7-19-37)55-53(56-48)43-33-32-42(40-22-10-11-23-41(40)43)51-52-50(44-24-12-14-26-46(44)54-51)45-25-13-15-27-49(45)57(52)39-20-8-3-9-21-39/h1-34H
InChIKeyWHLGLMDYMPJHCH-UHFFFAOYSA-N
MW726.88 g/mol
LogP13.61
Rot. Bonds6

About 7-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-c]quinoline

7-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-c]quinoline (PubChem CID 156551675) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 7-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-c]quinoline.

Molecular Properties

Compound Name7-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-c]quinoline
PubChem CID156551675
Molecular FormulaC53H34N4
Molecular Weight726.88 g/mol
Exact Mass726.28
IUPAC Name7-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-c]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5nc6ccccc6c6c7ccccc7n(-c7ccccc7)c56)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C53H34N4/c1-4-16-35(17-5-1)36-28-30-38(31-29-36)48-34-47(37-18-6-2-7-19-37)55-53(56-48)43-33-32-42(40-22-10-11-23-41(40)43)51-52-50(44-24-12-14-26-46(44)54-51)45-25-13-15-27-49(45)57(52)39-20-8-3-9-21-39/h1-34H
InChIKeyWHLGLMDYMPJHCH-UHFFFAOYSA-N
XLogP13.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-phenyl-6-[2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline
CID 156551768
6-(4-diphenylphosphorylphenyl)-7-phenylindolo[2,3-c]quinoline;6-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-7-phenylindolo[2,3-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-c]quinoline
CID 159236321
7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline
CID 156551745
6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[3,2-c]quinoline
CID 146480609
6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-11-phenylindolo[3,2-c]quinoline
CID 146480611
6-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-7-phenylindolo[2,3-c]quinoline
CID 156551653
6-[4-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-11-phenylindolo[3,2-c]quinoline
CID 156551663
6-[2-[4-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-7-phenylindolo[2,3-c]quinoline
CID 146480662
6-phenyl-7-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-c]quinoline
CID 156551716
6-phenyl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]quinoline;6-phenyl-11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]quinoline
CID 159724561
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[3,2-c]quinoline
CID 146480920
11-[4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-phenylindolo[3,2-c]quinoline;11-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylindolo[3,2-c]quinoline;methane
CID 158015741

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-c]quinoline?
The IUPAC name of 7-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-c]quinoline (CID 156551675) is 7-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-c]quinoline.
What is the SMILES notation for 7-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-c]quinoline?
The canonical SMILES for 7-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-c]quinoline is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5nc6ccccc6c6c7ccccc7n(-c7ccccc7)c56)c5ccccc45)n3)cc2)cc1.
What is the InChIKey of 7-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-c]quinoline?
The InChIKey is WHLGLMDYMPJHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-4-16-35(17-5-1)36-28-30-38(31-29-36)48-34-47(37-18-6-2-7-19-37)55-53(56-48)43-33-32-42(40-22-10-11-23-41(40)43)51-52-50(44-24-12-14-26-46(44)54-51)45-25-13-15-27-49(45)57(52)39-20-8-3-9-21-39/h1-34H.
What are the key properties of 7-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-c]quinoline?
7-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-c]quinoline has a molecular weight of 726.88 g/mol, XLogP of 13.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[2,3-c]quinoline is sourced from PubChem (CID 156551675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).