21-[4-[7-(10-methylbenzo[h]quinolin-7-yl)triphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

C59H36N2 — CID 146230905

IUPAC21-[4-[7-(10-methylbenzo[h]quinolin-7-yl)triphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7c7ccccc67)cc5)cc4c4ccccc4c3c2)c2ccc3cccnc3c12
InChIInChI=1S/C59H36N2/c1-35-20-28-41(50-31-25-37-11-10-32-60-58(37)55(35)50)40-27-30-47-46-29-26-39(33-53(46)44-14-2-3-15-45(44)54(47)34-40)36-21-23-38(24-22-36)57-52-19-9-7-17-49(52)56-48-16-6-4-12-42(48)43-13-5-8-18-51(43)59(56)61-57/h2-34H,1H3
InChIKeyQNCIARTVFJIUPT-UHFFFAOYSA-N
MW772.95 g/mol
LogP16.16
Rot. Bonds3

About 21-[4-[7-(10-methylbenzo[h]quinolin-7-yl)triphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

21-[4-[7-(10-methylbenzo[h]quinolin-7-yl)triphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (PubChem CID 146230905) has the molecular formula C59H36N2 and a molecular weight of 772.95 g/mol. Its IUPAC name is 21-[4-[7-(10-methylbenzo[h]quinolin-7-yl)triphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.

Molecular Properties

Compound Name21-[4-[7-(10-methylbenzo[h]quinolin-7-yl)triphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
PubChem CID146230905
Molecular FormulaC59H36N2
Molecular Weight772.95 g/mol
Exact Mass772.29
IUPAC Name21-[4-[7-(10-methylbenzo[h]quinolin-7-yl)triphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7c7ccccc67)cc5)cc4c4ccccc4c3c2)c2ccc3cccnc3c12
InChIInChI=1S/C59H36N2/c1-35-20-28-41(50-31-25-37-11-10-32-60-58(37)55(35)50)40-27-30-47-46-29-26-39(33-53(46)44-14-2-3-15-45(44)54(47)34-40)36-21-23-38(24-22-36)57-52-19-9-7-17-49(52)56-48-16-6-4-12-42(48)43-13-5-8-18-51(43)59(56)61-57/h2-34H,1H3
InChIKeyQNCIARTVFJIUPT-UHFFFAOYSA-N
XLogP16.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.95
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 21-[4-[7-(10-methylbenzo[h]quinolin-7-yl)triphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene with MolForge

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Related Compounds

21-[3-[5-(1,10-phenanthrolin-4-yl)pyrimidin-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 146408591
7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 153156483
21-[3-[4-(1,10-phenanthrolin-5-yl)naphthalen-1-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[5-(1,10-phenanthrolin-5-yl)-2-pyridinyl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[6-(1,10-phenanthrolin-5-yl)-3-pyridinyl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[5-(1,10-phenanthrolin-5-yl)pyrimidin-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[7-(9-phenyl-1,10-phenanthrolin-2-yl)triphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 158199840
2-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]-1,10-phenanthroline
CID 129174143
7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline
CID 122471874
7,10-bis[3-(3-phenanthren-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 168745164
7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 155792487
7-(3,5-diphenylphenyl)benzo[h]quinoline
CID 140719025
21-(4-quinolin-3-ylphenyl)-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475261
10-triphenylen-2-yl-11H-indeno[1,2-h]quinoline
CID 58489367
7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 152912532
7,21-diphenyl-4-quinolin-8-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319055

Frequently Asked Questions

What is the IUPAC name of 21-[4-[7-(10-methylbenzo[h]quinolin-7-yl)triphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The IUPAC name of 21-[4-[7-(10-methylbenzo[h]quinolin-7-yl)triphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (CID 146230905) is 21-[4-[7-(10-methylbenzo[h]quinolin-7-yl)triphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.
What is the SMILES notation for 21-[4-[7-(10-methylbenzo[h]quinolin-7-yl)triphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The canonical SMILES for 21-[4-[7-(10-methylbenzo[h]quinolin-7-yl)triphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is Cc1ccc(-c2ccc3c4ccc(-c5ccc(-c6nc7c8ccccc8c8ccccc8c7c7ccccc67)cc5)cc4c4ccccc4c3c2)c2ccc3cccnc3c12.
What is the InChIKey of 21-[4-[7-(10-methylbenzo[h]quinolin-7-yl)triphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The InChIKey is QNCIARTVFJIUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2/c1-35-20-28-41(50-31-25-37-11-10-32-60-58(37)55(35)50)40-27-30-47-46-29-26-39(33-53(46)44-14-2-3-15-45(44)54(47)34-40)36-21-23-38(24-22-36)57-52-19-9-7-17-49(52)56-48-16-6-4-12-42(48)43-13-5-8-18-51(43)59(56)61-57/h2-34H,1H3.
What are the key properties of 21-[4-[7-(10-methylbenzo[h]quinolin-7-yl)triphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
21-[4-[7-(10-methylbenzo[h]quinolin-7-yl)triphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene has a molecular weight of 772.95 g/mol, XLogP of 16.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 21-[4-[7-(10-methylbenzo[h]quinolin-7-yl)triphenylen-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is sourced from PubChem (CID 146230905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).