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

C125H88N8 — CID 159082297

IUPAC11,11-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
SMILESCC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4cc(-c5ccc6ncccc6c5)cc(-c5ccc6ncccc6c5)c4)cc3)c21.CC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4cc(-c5cccnc5)nc(-c5ccccc5)n4)cc3)c21.CC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c21
InChIInChI=1S/C48H33N3.C39H28N4.C38H27N/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;1-39(2)31-16-8-6-14-29(31)37-36(39)35(30-15-7-9-17-32(30)41-37)26-20-18-25(19-21-26)33-23-34(28-13-10-22-40-24-28)43-38(42-33)27-11-4-3-5-12-27;1-38(2)33-17-9-7-15-30(33)37-36(38)35(31-16-8-10-18-34(31)39-37)25-21-19-24(20-22-25)32-23-26-11-3-4-12-27(26)28-13-5-6-14-29(28)32/h3-29H,1-2H3;3-24H,1-2H3;3-23H,1-2H3
InChIKeyKAZXMUTVGJJQDC-UHFFFAOYSA-N
MW1702.13 g/mol
LogP31.88
Rot. Bonds10

About 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

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 (PubChem CID 159082297) has the molecular formula C125H88N8 and a molecular weight of 1702.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11,11-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
PubChem CID159082297
Molecular FormulaC125H88N8
Molecular Weight1702.13 g/mol
Exact Mass1700.71
IUPAC Name11,11-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
SMILESCC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4cc(-c5ccc6ncccc6c5)cc(-c5ccc6ncccc6c5)c4)cc3)c21.CC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4cc(-c5cccnc5)nc(-c5ccccc5)n4)cc3)c21.CC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c21
InChIInChI=1S/C48H33N3.C39H28N4.C38H27N/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;1-39(2)31-16-8-6-14-29(31)37-36(39)35(30-15-7-9-17-32(30)41-37)26-20-18-25(19-21-26)33-23-34(28-13-10-22-40-24-28)43-38(42-33)27-11-4-3-5-12-27;1-38(2)33-17-9-7-15-30(33)37-36(38)35(31-16-8-10-18-34(31)39-37)25-21-19-24(20-22-25)32-23-26-11-3-4-12-27(26)28-13-5-6-14-29(28)32/h3-29H,1-2H3;3-24H,1-2H3;3-23H,1-2H3
InChIKeyKAZXMUTVGJJQDC-UHFFFAOYSA-N
XLogP31.88
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001702.13
LogP ≤ 531.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline
CID 139567372
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-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline
CID 139567371
11,11-dimethyl-10-[4-(7-pyrazin-2-yltriphenylen-2-yl)phenyl]indeno[1,2-b]quinoline
CID 139567278
10,10-dimethyl-12-[4-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-12-[4-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 158905535
12-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]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;10,10-dimethyl-12-[4-(10-pyrimidin-2-ylanthracen-9-yl)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;12-[4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]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 161078031
11,11-dimethyl-10-(4-pyridin-2-ylphenyl)indeno[1,2-b]quinoline
CID 139567195
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline
CID 139567232
5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100309
6-[3-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]quinoline
CID 176793411
4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(4-pyridin-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 122431231
4-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477583

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4cc(-c5ccc6ncccc6c5)cc(-c5ccc6ncccc6c5)c4)cc3)c21.CC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4cc(-c5cccnc5)nc(-c5ccccc5)n4)cc3)c21.CC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c21.
What is the InChIKey of 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?
The InChIKey is KAZXMUTVGJJQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3.C39H28N4.C38H27N/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;1-39(2)31-16-8-6-14-29(31)37-36(39)35(30-15-7-9-17-32(30)41-37)26-20-18-25(19-21-26)33-23-34(28-13-10-22-40-24-28)43-38(42-33)27-11-4-3-5-12-27;1-38(2)33-17-9-7-15-30(33)37-36(38)35(31-16-8-10-18-34(31)39-37)25-21-19-24(20-22-25)32-23-26-11-3-4-12-27(26)28-13-5-6-14-29(28)32/h3-29H,1-2H3;3-24H,1-2H3;3-23H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1702.13 g/mol, XLogP of 31.88, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159082297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).