10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline

C48H33N3 — CID 139567372

IUPAC10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline
SMILESCC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4cc(-c5ccc6ncccc6c5)cc(-c5ccc6ncccc6c5)c4)cc3)c21
InChIInChI=1S/C48H33N3/c1-48(2)41-13-5-3-11-39(41)47-46(48)45(40-12-4-6-14-44(40)51-47)31-17-15-30(16-18-31)36-27-37(32-19-21-42-34(25-32)9-7-23-49-42)29-38(28-36)33-20-22-43-35(26-33)10-8-24-50-43/h3-29H,1-2H3
InChIKeyMTIFXMGQCNNYFH-UHFFFAOYSA-N
MW651.81 g/mol
LogP12.31
Rot. Bonds4

About 10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline

10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline (PubChem CID 139567372) has the molecular formula C48H33N3 and a molecular weight of 651.81 g/mol. Its IUPAC name is 10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline.

Molecular Properties

Compound Name10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline
PubChem CID139567372
Molecular FormulaC48H33N3
Molecular Weight651.81 g/mol
Exact Mass651.27
IUPAC Name10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline
SMILESCC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4cc(-c5ccc6ncccc6c5)cc(-c5ccc6ncccc6c5)c4)cc3)c21
InChIInChI=1S/C48H33N3/c1-48(2)41-13-5-3-11-39(41)47-46(48)45(40-12-4-6-14-44(40)51-47)31-17-15-30(16-18-31)36-27-37(32-19-21-42-34(25-32)9-7-23-49-42)29-38(28-36)33-20-22-43-35(26-33)10-8-24-50-43/h3-29H,1-2H3
InChIKeyMTIFXMGQCNNYFH-UHFFFAOYSA-N
XLogP12.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline with MolForge

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Related Compounds

11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]indeno[1,2-b]quinoline;10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline
CID 159082297
11,11-dimethyl-10-(4-pyridin-2-ylphenyl)indeno[1,2-b]quinoline
CID 139567195
11,11-dimethyl-10-[4-(4-pyridin-3-ylphenyl)phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-(4-pyridin-4-ylphenyl)phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-(4-quinolin-3-ylphenyl)phenyl]indeno[1,2-b]quinoline
CID 158121808
11,11-dimethyl-10-[4-[4-(1,10-phenanthrolin-3-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline
CID 139567205
11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline
CID 139567371
11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline
CID 139567240
11,11-dimethyl-10-[4-(7-pyrazin-2-yltriphenylen-2-yl)phenyl]indeno[1,2-b]quinoline
CID 139567278
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline
CID 139567232
10,10-dimethyl-12-[4-[3-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 139567161
12-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 139567130
10,10-dimethyl-12-[3-(4-quinolin-8-ylphenyl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 139567193
11,11-dimethyl-10-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]indeno[1,2-b]quinoline
CID 139567439

Frequently Asked Questions

What is the IUPAC name of 10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline?
The IUPAC name of 10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline (CID 139567372) is 10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline.
What is the SMILES notation for 10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline?
The canonical SMILES for 10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline is CC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4cc(-c5ccc6ncccc6c5)cc(-c5ccc6ncccc6c5)c4)cc3)c21.
What is the InChIKey of 10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline?
The InChIKey is MTIFXMGQCNNYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3/c1-48(2)41-13-5-3-11-39(41)47-46(48)45(40-12-4-6-14-44(40)51-47)31-17-15-30(16-18-31)36-27-37(32-19-21-42-34(25-32)9-7-23-49-42)29-38(28-36)33-20-22-43-35(26-33)10-8-24-50-43/h3-29H,1-2H3.
What are the key properties of 10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline?
10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline has a molecular weight of 651.81 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline is sourced from PubChem (CID 139567372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).