carbanide;2-(5,7-dimethyl-1H-naphthalen-1-id-2-yl)pyridine;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]-3,5-dimethylbenzene-6-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;bis(6-phenyl-3-phenylbenzo[f]quinazoline);3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline

C154H115F3Ir4N13O2-3 — CID 158026365

About carbanide;2-(5,7-dimethyl-1H-naphthalen-1-id-2-yl)pyridine;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]-3,5-dimethylbenzene-6-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;bis(6-phenyl-3-phenylbenzo[f]quinazoline);3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline

carbanide;2-(5,7-dimethyl-1H-naphthalen-1-id-2-yl)pyridine;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]-3,5-dimethylbenzene-6-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;bis(6-phenyl-3-phenylbenzo[f]quinazoline);3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline (PubChem CID 158026365) has the molecular formula C154H115F3Ir4N13O2-3 and a molecular weight of 3005.56 g/mol. Its IUPAC name is carbanide;2-(5,7-dimethyl-1H-naphthalen-1-id-2-yl)pyridine;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]-3,5-dimethylbenzene-6-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;bis(6-phenyl-3-phenylbenzo[f]quinazoline);3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline.

Molecular Properties

• Compound Name: carbanide;2-(5,7-dimethyl-1H-naphthalen-1-id-2-yl)pyridine;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]-3,5-dimethylbenzene-6-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;bis(6-phenyl-3-phenylbenzo[f]quinazoline);3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline
• PubChem CID: 158026365
• Molecular Formula: C154H115F3Ir4N13O2-3
• Molecular Weight: 3005.56 g/mol
• Exact Mass: 3006.78
• IUPAC Name: carbanide;2-(5,7-dimethyl-1H-naphthalen-1-id-2-yl)pyridine;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]-3,5-dimethylbenzene-6-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;bis(6-phenyl-3-phenylbenzo[f]quinazoline);3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline
• SMILES: C/C(=N/c1c(C=[N-])ccc2ccccc12)c1[c-]cccc1.C=C(/C=c1/cccc/c1=C/C)c1[c-]c(C)cc(C)c1.CC(=O)C=C(C)O.Cc1cc(C)c2ccc(-c3ccccn3)[c-]c2c1.FC(F)(F)c1ccc2c(ccc3nc(-c4[c-]cccc4)ncc32)c1.[CH3-].[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccn1.[c-]1ccccc1-c1ncc2c(cc(-c3ccccc3)c3ccccc32)n1.[c-]1ccccc1-c1ncc2c(cc(-c3ccccc3)c3ccccc32)n1
• InChI: InChI=1S/C26H17N4.2C24H15N2.C19H10F3N2.C19H14N2.C19H19.C17H14N.C5H8O2.CH3.4Ir/c1-4-10-19(11-5-1)23-18-22(16-17-27-23)26-29-24(20-12-6-2-7-13-20)28-25(30-26)21-14-8-3-9-15-21;2*1-3-9-17(10-4-1)21-15-23-22(20-14-8-7-13-19(20)21)16-25-24(26-23)18-11-5-2-6-12-18;20-19(21,22)14-7-8-15-13(10-14)6-9-17-16(15)11-23-18(24-17)12-4-2-1-3-5-12;1-14(15-7-3-2-4-8-15)21-19-17(13-20)12-11-16-9-5-6-10-18(16)19;1-5-17-8-6-7-9-18(17)13-16(4)19-11-14(2)10-15(3)12-19;1-12-9-13(2)16-7-6-14(11-15(16)10-12)17-5-3-4-8-18-17;1-4(6)3-5(2)7;;;;;/h1-10,12-18H;2*1-11,13-16H;1-4,6-11H;2-7,9-13H,1H3;5-11,13H,4H2,1-3H3;3-10H,1-2H3;3,6H,1-2H3;1H3;;;;/q4*-1;-2;2*-1;;-1;;;2*+3/b;;;;21-14-;17-5-,18-13-
• InChIKey: GUIJKSBVLZKZHQ-SAFPSIGBSA-N
• XLogP: 36.80
• TPSA: 213.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3005.56
LogP ≤ 5	36.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;2-(5,7-dimethyl-1H-naphthalen-1-id-2-yl)pyridine;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]-3,5-dimethylbenzene-6-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;bis(6-phenyl-3-phenylbenzo[f]quinazoline);3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline?

The IUPAC name of carbanide;2-(5,7-dimethyl-1H-naphthalen-1-id-2-yl)pyridine;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]-3,5-dimethylbenzene-6-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;bis(6-phenyl-3-phenylbenzo[f]quinazoline);3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline (CID 158026365) is carbanide;2-(5,7-dimethyl-1H-naphthalen-1-id-2-yl)pyridine;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]-3,5-dimethylbenzene-6-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;bis(6-phenyl-3-phenylbenzo[f]quinazoline);3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline.

What is the SMILES notation for carbanide;2-(5,7-dimethyl-1H-naphthalen-1-id-2-yl)pyridine;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]-3,5-dimethylbenzene-6-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;bis(6-phenyl-3-phenylbenzo[f]quinazoline);3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline?

The canonical SMILES for carbanide;2-(5,7-dimethyl-1H-naphthalen-1-id-2-yl)pyridine;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]-3,5-dimethylbenzene-6-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;bis(6-phenyl-3-phenylbenzo[f]quinazoline);3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline is C/C(=N/c1c(C=[N-])ccc2ccccc12)c1[c-]cccc1.C=C(/C=c1/cccc/c1=C/C)c1[c-]c(C)cc(C)c1.CC(=O)C=C(C)O.Cc1cc(C)c2ccc(-c3ccccn3)[c-]c2c1.FC(F)(F)c1ccc2c(ccc3nc(-c4[c-]cccc4)ncc32)c1.[CH3-].[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccn1.[c-]1ccccc1-c1ncc2c(cc(-c3ccccc3)c3ccccc32)n1.[c-]1ccccc1-c1ncc2c(cc(-c3ccccc3)c3ccccc32)n1.

What is the InChIKey of carbanide;2-(5,7-dimethyl-1H-naphthalen-1-id-2-yl)pyridine;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]-3,5-dimethylbenzene-6-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;bis(6-phenyl-3-phenylbenzo[f]quinazoline);3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline?

The InChIKey is GUIJKSBVLZKZHQ-SAFPSIGBSA-N. The full InChI is InChI=1S/C26H17N4.2C24H15N2.C19H10F3N2.C19H14N2.C19H19.C17H14N.C5H8O2.CH3.4Ir/c1-4-10-19(11-5-1)23-18-22(16-17-27-23)26-29-24(20-12-6-2-7-13-20)28-25(30-26)21-14-8-3-9-15-21;2*1-3-9-17(10-4-1)21-15-23-22(20-14-8-7-13-19(20)21)16-25-24(26-23)18-11-5-2-6-12-18;20-19(21,22)14-7-8-15-13(10-14)6-9-17-16(15)11-23-18(24-17)12-4-2-1-3-5-12;1-14(15-7-3-2-4-8-15)21-19-17(13-20)12-11-16-9-5-6-10-18(16)19;1-5-17-8-6-7-9-18(17)13-16(4)19-11-14(2)10-15(3)12-19;1-12-9-13(2)16-7-6-14(11-15(16)10-12)17-5-3-4-8-18-17;1-4(6)3-5(2)7;;;;;/h1-10,12-18H;2*1-11,13-16H;1-4,6-11H;2-7,9-13H,1H3;5-11,13H,4H2,1-3H3;3-10H,1-2H3;3,6H,1-2H3;1H3;;;;/q4*-1;-2;2*-1;;-1;;;2*+3/b;;;;21-14-;17-5-,18-13-;;;;;;;.

What are the key properties of carbanide;2-(5,7-dimethyl-1H-naphthalen-1-id-2-yl)pyridine;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]-3,5-dimethylbenzene-6-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;bis(6-phenyl-3-phenylbenzo[f]quinazoline);3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline?

carbanide;2-(5,7-dimethyl-1H-naphthalen-1-id-2-yl)pyridine;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]-3,5-dimethylbenzene-6-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;bis(6-phenyl-3-phenylbenzo[f]quinazoline);3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline has a molecular weight of 3005.56 g/mol, XLogP of 36.80, 16 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2-(5,7-dimethyl-1H-naphthalen-1-id-2-yl)pyridine;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]-3,5-dimethylbenzene-6-ide;4-hydroxypent-3-en-2-one;bis(iridium);bis(iridium(3+));[1-(1-phenylethylideneamino)naphthalen-2-yl]methylideneazanide;bis(6-phenyl-3-phenylbenzo[f]quinazoline);3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline is sourced from PubChem (CID 158026365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).