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

C49H32N4 — CID 146480609

IUPAC6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5c5ccccc5n6-c5ccccc5)cc4)cc3)n2)cc1
InChIInChI=1S/C49H32N4/c1-4-14-35(15-5-1)43-32-44(36-16-6-2-7-17-36)52-49(51-43)38-30-26-34(27-31-38)33-24-28-37(29-25-33)47-46-41-21-11-13-23-45(41)53(39-18-8-3-9-19-39)48(46)40-20-10-12-22-42(40)50-47/h1-32H
InChIKeyWSBZYIJFCCUQGH-UHFFFAOYSA-N
MW676.82 g/mol
LogP12.46
Rot. Bonds6

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

6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[3,2-c]quinoline (PubChem CID 146480609) has the molecular formula C49H32N4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[3,2-c]quinoline.

Molecular Properties

Compound Name6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[3,2-c]quinoline
PubChem CID146480609
Molecular FormulaC49H32N4
Molecular Weight676.82 g/mol
Exact Mass676.26
IUPAC Name6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5c5ccccc5n6-c5ccccc5)cc4)cc3)n2)cc1
InChIInChI=1S/C49H32N4/c1-4-14-35(15-5-1)43-32-44(36-16-6-2-7-17-36)52-49(51-43)38-30-26-34(27-31-38)33-24-28-37(29-25-33)47-46-41-21-11-13-23-45(41)53(39-18-8-3-9-19-39)48(46)40-20-10-12-22-42(40)50-47/h1-32H
InChIKeyWSBZYIJFCCUQGH-UHFFFAOYSA-N
XLogP12.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-11-phenylindolo[3,2-c]quinoline
CID 146480611
6-[4-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-11-phenylindolo[3,2-c]quinoline
CID 156551663
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
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
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[3,2-c]quinoline
CID 146480920
12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-i]phenanthridine
CID 129122989
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenanthren-3-ylindolo[3,2-c]quinoline
CID 156551590
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene
CID 156551219
11-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-3-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-phenyl-6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]quinoline
CID 158557808
11-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 146480756
7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline
CID 156551745
7-phenyl-6-[2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline
CID 156551768

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[3,2-c]quinoline?
The IUPAC name of 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[3,2-c]quinoline (CID 146480609) is 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[3,2-c]quinoline.
What is the SMILES notation for 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[3,2-c]quinoline?
The canonical SMILES for 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[3,2-c]quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5c5ccccc5n6-c5ccccc5)cc4)cc3)n2)cc1.
What is the InChIKey of 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[3,2-c]quinoline?
The InChIKey is WSBZYIJFCCUQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4/c1-4-14-35(15-5-1)43-32-44(36-16-6-2-7-17-36)52-49(51-43)38-30-26-34(27-31-38)33-24-28-37(29-25-33)47-46-41-21-11-13-23-45(41)53(39-18-8-3-9-19-39)48(46)40-20-10-12-22-42(40)50-47/h1-32H.
What are the key properties of 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[3,2-c]quinoline?
6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[3,2-c]quinoline has a molecular weight of 676.82 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[3,2-c]quinoline is sourced from PubChem (CID 146480609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).