11,11-dimethyl-10-[4-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-[10-(5-phenylpyrimidin-2-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline

C96H66N6 — CID 162138563

IUPAC11,11-dimethyl-10-[4-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-[10-(5-phenylpyrimidin-2-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline
SMILESCC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccnc(-c6ccccc6)n5)c5ccccc45)cc3)c21.CC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ncc(-c6ccccc6)cn5)c5ccccc45)cc3)c21
InChIInChI=1S/2C48H33N3/c1-48(2)40-22-12-10-20-38(40)46-45(48)43(39-21-11-13-23-41(39)51-46)32-26-24-31(25-27-32)42-34-16-6-8-18-36(34)44(37-19-9-7-17-35(37)42)47-49-28-33(29-50-47)30-14-4-3-5-15-30;1-48(2)39-22-12-10-20-37(39)46-45(48)43(38-21-11-13-23-40(38)50-46)31-26-24-30(25-27-31)42-33-16-6-8-18-35(33)44(36-19-9-7-17-34(36)42)41-28-29-49-47(51-41)32-14-4-3-5-15-32/h2*3-29H,1-2H3
InChIKeyZJPVGYXFHDBDQB-UHFFFAOYSA-N
MW1303.63 g/mol
LogP24.61
Rot. Bonds8

About 11,11-dimethyl-10-[4-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-[10-(5-phenylpyrimidin-2-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline

11,11-dimethyl-10-[4-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-[10-(5-phenylpyrimidin-2-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline (PubChem CID 162138563) has the molecular formula C96H66N6 and a molecular weight of 1303.63 g/mol. Its IUPAC name is 11,11-dimethyl-10-[4-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-[10-(5-phenylpyrimidin-2-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline.

Molecular Properties

Compound Name11,11-dimethyl-10-[4-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-[10-(5-phenylpyrimidin-2-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline
PubChem CID162138563
Molecular FormulaC96H66N6
Molecular Weight1303.63 g/mol
Exact Mass1302.53
IUPAC Name11,11-dimethyl-10-[4-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-[10-(5-phenylpyrimidin-2-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline
SMILESCC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccnc(-c6ccccc6)n5)c5ccccc45)cc3)c21.CC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ncc(-c6ccccc6)cn5)c5ccccc45)cc3)c21
InChIInChI=1S/2C48H33N3/c1-48(2)40-22-12-10-20-38(40)46-45(48)43(39-21-11-13-23-41(39)51-46)32-26-24-31(25-27-32)42-34-16-6-8-18-36(34)44(37-19-9-7-17-35(37)42)47-49-28-33(29-50-47)30-14-4-3-5-15-30;1-48(2)39-22-12-10-20-37(39)46-45(48)43(38-21-11-13-23-40(38)50-46)31-26-24-30(25-27-31)42-33-16-6-8-18-35(33)44(36-19-9-7-17-34(36)42)41-28-29-49-47(51-41)32-14-4-3-5-15-32/h2*3-29H,1-2H3
InChIKeyZJPVGYXFHDBDQB-UHFFFAOYSA-N
XLogP24.61
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001303.63
LogP ≤ 524.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 11,11-dimethyl-10-[4-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-[10-(5-phenylpyrimidin-2-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline with MolForge

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Related Compounds

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-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]-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 139567303
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-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-(7-pyrazin-2-yltriphenylen-2-yl)phenyl]indeno[1,2-b]quinoline
CID 139567278
11,11-dimethyl-10-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]indeno[1,2-b]quinoline
CID 139567389
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-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline
CID 139567371
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-(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;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

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-10-[4-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-[10-(5-phenylpyrimidin-2-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline?
The IUPAC name of 11,11-dimethyl-10-[4-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-[10-(5-phenylpyrimidin-2-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline (CID 162138563) is 11,11-dimethyl-10-[4-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-[10-(5-phenylpyrimidin-2-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline.
What is the SMILES notation for 11,11-dimethyl-10-[4-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-[10-(5-phenylpyrimidin-2-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline?
The canonical SMILES for 11,11-dimethyl-10-[4-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-[10-(5-phenylpyrimidin-2-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline is CC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccnc(-c6ccccc6)n5)c5ccccc45)cc3)c21.CC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ncc(-c6ccccc6)cn5)c5ccccc45)cc3)c21.
What is the InChIKey of 11,11-dimethyl-10-[4-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-[10-(5-phenylpyrimidin-2-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline?
The InChIKey is ZJPVGYXFHDBDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H33N3/c1-48(2)40-22-12-10-20-38(40)46-45(48)43(39-21-11-13-23-41(39)51-46)32-26-24-31(25-27-32)42-34-16-6-8-18-36(34)44(37-19-9-7-17-35(37)42)47-49-28-33(29-50-47)30-14-4-3-5-15-30;1-48(2)39-22-12-10-20-37(39)46-45(48)43(38-21-11-13-23-40(38)50-46)31-26-24-30(25-27-31)42-33-16-6-8-18-35(33)44(36-19-9-7-17-34(36)42)41-28-29-49-47(51-41)32-14-4-3-5-15-32/h2*3-29H,1-2H3.
What are the key properties of 11,11-dimethyl-10-[4-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-[10-(5-phenylpyrimidin-2-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline?
11,11-dimethyl-10-[4-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-[10-(5-phenylpyrimidin-2-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline has a molecular weight of 1303.63 g/mol, XLogP of 24.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-10-[4-[10-(2-phenylpyrimidin-4-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-[10-(5-phenylpyrimidin-2-yl)anthracen-9-yl]phenyl]indeno[1,2-b]quinoline is sourced from PubChem (CID 162138563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).