14-[2-[3,5-bis(2-benzo[h][1,6]naphthyridin-8-ylphenyl)phenyl]phenyl]-9,9-dimethyl-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene

C65H47N5 — CID 145132313

IUPAC14-[2-[3,5-bis(2-benzo[h][1,6]naphthyridin-8-ylphenyl)phenyl]phenyl]-9,9-dimethyl-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene
SMILESCC1(C)CCc2cc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc5c(c4)ncc4cccnc45)cc(-c4ccccc4-c4ccc5c(c4)ncc4cccnc45)c3)ccc2-c2ncccc2C1
InChIInChI=1S/C65H47N5/c1-65(2)28-27-44-32-41(21-24-57(44)62-45(38-65)12-9-29-66-62)51-15-3-6-18-54(51)48-33-49(55-19-7-4-16-52(55)42-22-25-58-60(36-42)69-39-46-13-10-30-67-63(46)58)35-50(34-48)56-20-8-5-17-53(56)43-23-26-59-61(37-43)70-40-47-14-11-31-68-64(47)59/h3-26,29-37,39-40H,27-28,38H2,1-2H3
InChIKeyZRRGAOAOJKMHFZ-UHFFFAOYSA-N
MW898.13 g/mol
LogP16.46
Rot. Bonds6

About 14-[2-[3,5-bis(2-benzo[h][1,6]naphthyridin-8-ylphenyl)phenyl]phenyl]-9,9-dimethyl-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene

14-[2-[3,5-bis(2-benzo[h][1,6]naphthyridin-8-ylphenyl)phenyl]phenyl]-9,9-dimethyl-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene (PubChem CID 145132313) has the molecular formula C65H47N5 and a molecular weight of 898.13 g/mol. Its IUPAC name is 14-[2-[3,5-bis(2-benzo[h][1,6]naphthyridin-8-ylphenyl)phenyl]phenyl]-9,9-dimethyl-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene.

Molecular Properties

Compound Name14-[2-[3,5-bis(2-benzo[h][1,6]naphthyridin-8-ylphenyl)phenyl]phenyl]-9,9-dimethyl-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene
PubChem CID145132313
Molecular FormulaC65H47N5
Molecular Weight898.13 g/mol
Exact Mass897.38
IUPAC Name14-[2-[3,5-bis(2-benzo[h][1,6]naphthyridin-8-ylphenyl)phenyl]phenyl]-9,9-dimethyl-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene
SMILESCC1(C)CCc2cc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc5c(c4)ncc4cccnc45)cc(-c4ccccc4-c4ccc5c(c4)ncc4cccnc45)c3)ccc2-c2ncccc2C1
InChIInChI=1S/C65H47N5/c1-65(2)28-27-44-32-41(21-24-57(44)62-45(38-65)12-9-29-66-62)51-15-3-6-18-54(51)48-33-49(55-19-7-4-16-52(55)42-22-25-58-60(36-42)69-39-46-13-10-30-67-63(46)58)35-50(34-48)56-20-8-5-17-53(56)43-23-26-59-61(37-43)70-40-47-14-11-31-68-64(47)59/h3-26,29-37,39-40H,27-28,38H2,1-2H3
InChIKeyZRRGAOAOJKMHFZ-UHFFFAOYSA-N
XLogP16.46
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.13
LogP ≤ 516.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 14-[2-[3,5-bis(2-benzo[h][1,6]naphthyridin-8-ylphenyl)phenyl]phenyl]-9,9-dimethyl-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene with MolForge

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Related Compounds

8-[2-[3-(2-benzo[h][1,6]naphthyridin-8-ylphenyl)-5-[2-[6-[5-[2-[3,5-bis(2-benzo[h][1,6]naphthyridin-8-ylphenyl)phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]phenyl]benzo[h][1,6]naphthyridine
CID 146379873
8-[2-[3-[3-[3,5-bis[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(5,6-dihydrobenzo[h]quinolin-8-yl)phenyl]phenyl]phenyl]-5,6-dihydrobenzo[h]quinoline
CID 139524681
6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline;7-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline;3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenanthridine
CID 158599286
3-[2-[3-chloro-5-[2-(5,6-dihydrobenzo[h]quinolin-3-yl)phenyl]phenyl]phenyl]benzo[h]quinoline
CID 142296858
9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline
CID 59412911
7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 153156483
7-(3,5-diphenylphenyl)benzo[h]quinoline
CID 140719025
8-[6-[4-phenyl-6-[3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-3-pyridinyl]quinoline
CID 171749073
8-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-6,10-dihydro-5H-benzo[h]quinolin-10-ide;bis(iridium(3+))
CID 153448990
5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one
CID 86715526
6-(3,3-dimethyl-4H-isoquinolin-1-yl)-8-methoxyquinoline
CID 135152616
3-ethyl-3-methyl-1-quinolin-7-yl-4H-isoquinoline
CID 135152564

Frequently Asked Questions

What is the IUPAC name of 14-[2-[3,5-bis(2-benzo[h][1,6]naphthyridin-8-ylphenyl)phenyl]phenyl]-9,9-dimethyl-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene?
The IUPAC name of 14-[2-[3,5-bis(2-benzo[h][1,6]naphthyridin-8-ylphenyl)phenyl]phenyl]-9,9-dimethyl-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene (CID 145132313) is 14-[2-[3,5-bis(2-benzo[h][1,6]naphthyridin-8-ylphenyl)phenyl]phenyl]-9,9-dimethyl-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene.
What is the SMILES notation for 14-[2-[3,5-bis(2-benzo[h][1,6]naphthyridin-8-ylphenyl)phenyl]phenyl]-9,9-dimethyl-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene?
The canonical SMILES for 14-[2-[3,5-bis(2-benzo[h][1,6]naphthyridin-8-ylphenyl)phenyl]phenyl]-9,9-dimethyl-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene is CC1(C)CCc2cc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc5c(c4)ncc4cccnc45)cc(-c4ccccc4-c4ccc5c(c4)ncc4cccnc45)c3)ccc2-c2ncccc2C1.
What is the InChIKey of 14-[2-[3,5-bis(2-benzo[h][1,6]naphthyridin-8-ylphenyl)phenyl]phenyl]-9,9-dimethyl-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene?
The InChIKey is ZRRGAOAOJKMHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47N5/c1-65(2)28-27-44-32-41(21-24-57(44)62-45(38-65)12-9-29-66-62)51-15-3-6-18-54(51)48-33-49(55-19-7-4-16-52(55)42-22-25-58-60(36-42)69-39-46-13-10-30-67-63(46)58)35-50(34-48)56-20-8-5-17-53(56)43-23-26-59-61(37-43)70-40-47-14-11-31-68-64(47)59/h3-26,29-37,39-40H,27-28,38H2,1-2H3.
What are the key properties of 14-[2-[3,5-bis(2-benzo[h][1,6]naphthyridin-8-ylphenyl)phenyl]phenyl]-9,9-dimethyl-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene?
14-[2-[3,5-bis(2-benzo[h][1,6]naphthyridin-8-ylphenyl)phenyl]phenyl]-9,9-dimethyl-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene has a molecular weight of 898.13 g/mol, XLogP of 16.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[2-[3,5-bis(2-benzo[h][1,6]naphthyridin-8-ylphenyl)phenyl]phenyl]-9,9-dimethyl-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene is sourced from PubChem (CID 145132313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).