2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinoxaline;tris(iridium);tris(2-(3-phenylbenzene-6-id-1-yl)-1,3-benzothiazole)

C134H95Ir3N9S3-6 — CID 158072631

IUPAC2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinoxaline;tris(iridium);tris(2-(3-phenylbenzene-6-id-1-yl)-1,3-benzothiazole)
SMILESCC1(C)c2c[c-]c(-c3cnc4ccccc4n3)cc2-c2ccccc21.CC1(C)c2c[c-]c(-c3ncc4ccccc4n3)cc2-c2ccccc21.Cc1cccc(C)c1-c1nc(-c2[c-]cc3c(c2)-c2ccccc2C3(C)C)nc2ccccc12.[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[c-]1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[c-]1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1
InChIInChI=1S/C31H25N2.2C23H17N2.3C19H12NS.3Ir/c1-19-10-9-11-20(2)28(19)29-23-13-6-8-15-27(23)32-30(33-29)21-16-17-26-24(18-21)22-12-5-7-14-25(22)31(26,3)4;1-23(2)19-9-5-4-8-17(19)18-13-15(11-12-20(18)23)22-24-14-16-7-3-6-10-21(16)25-22;1-23(2)18-8-4-3-7-16(18)17-13-15(11-12-19(17)23)22-14-24-20-9-5-6-10-21(20)25-22;3*1-2-7-14(8-3-1)15-9-6-10-16(13-15)19-20-17-11-4-5-12-18(17)21-19;;;/h5-15,17-18H,1-4H3;2*3-10,12-14H,1-2H3;3*1-9,11-13H;;;/q6*-1;;;
InChIKeyHBBODINLMSOVMH-UHFFFAOYSA-N
MW2504.15 g/mol
LogP34.78
Rot. Bonds10

About 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinoxaline;tris(iridium);tris(2-(3-phenylbenzene-6-id-1-yl)-1,3-benzothiazole)

2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinoxaline;tris(iridium);tris(2-(3-phenylbenzene-6-id-1-yl)-1,3-benzothiazole) (PubChem CID 158072631) has the molecular formula C134H95Ir3N9S3-6 and a molecular weight of 2504.15 g/mol. Its IUPAC name is 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinoxaline;tris(iridium);tris(2-(3-phenylbenzene-6-id-1-yl)-1,3-benzothiazole).

Molecular Properties

Compound Name2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinoxaline;tris(iridium);tris(2-(3-phenylbenzene-6-id-1-yl)-1,3-benzothiazole)
PubChem CID158072631
Molecular FormulaC134H95Ir3N9S3-6
Molecular Weight2504.15 g/mol
Exact Mass2504.58
IUPAC Name2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinoxaline;tris(iridium);tris(2-(3-phenylbenzene-6-id-1-yl)-1,3-benzothiazole)
SMILESCC1(C)c2c[c-]c(-c3cnc4ccccc4n3)cc2-c2ccccc21.CC1(C)c2c[c-]c(-c3ncc4ccccc4n3)cc2-c2ccccc21.Cc1cccc(C)c1-c1nc(-c2[c-]cc3c(c2)-c2ccccc2C3(C)C)nc2ccccc12.[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[c-]1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[c-]1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1
InChIInChI=1S/C31H25N2.2C23H17N2.3C19H12NS.3Ir/c1-19-10-9-11-20(2)28(19)29-23-13-6-8-15-27(23)32-30(33-29)21-16-17-26-24(18-21)22-12-5-7-14-25(22)31(26,3)4;1-23(2)19-9-5-4-8-17(19)18-13-15(11-12-20(18)23)22-24-14-16-7-3-6-10-21(16)25-22;1-23(2)18-8-4-3-7-16(18)17-13-15(11-12-19(17)23)22-14-24-20-9-5-6-10-21(20)25-22;3*1-2-7-14(8-3-1)15-9-6-10-16(13-15)19-20-17-11-4-5-12-18(17)21-19;;;/h5-15,17-18H,1-4H3;2*3-10,12-14H,1-2H3;3*1-9,11-13H;;;/q6*-1;;;
InChIKeyHBBODINLMSOVMH-UHFFFAOYSA-N
XLogP34.78
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002504.15
LogP ≤ 534.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinoxaline;tris(iridium);tris(2-(3-phenylbenzene-6-id-1-yl)-1,3-benzothiazole) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-(2,6-dimethylphenyl)quinazoline;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,5-naphthyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,6-naphthyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,7-naphthyridine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;hexakis(iridium);hexakis(2-(3-phenylbenzene-6-id-1-yl)-1,3-benzothiazole)
CID 161182395
2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;iridium;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 155623974
tris(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,3-benzothiazole);bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-(2,6-dimethylphenyl)quinazoline);3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;tris(iridium)
CID 161180055
1-(9,9-dimethyl-2H-fluoren-2-id-3-yl)isoquinoline;iridium;2-(3-phenylbenzene-6-id-1-yl)-1,3-benzothiazole
CID 155623895
2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;iridium;2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole
CID 155623912
2-(9,9-diethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;iridium;2-(3H-naphthalen-3-id-2-yl)-1,3-benzothiazole
CID 155623942
2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-4-(2,6-dimethylphenyl)quinazoline;iridium;2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole
CID 155623945
1-(2,6-dimethylphenyl)-5,7-diphenyl-3-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]isoquinoline;bis(4-(2,6-dimethylphenyl)-6-phenyl-2-(3-phenylbenzene-6-id-1-yl)quinazoline);tris(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenyl-2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]pyridine
CID 161277936
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)naphtho[2,1-f]isoquinoline;iridium
CID 176775894
1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-phenyl-1,3-benzothiazole
CID 161198840
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-1,3-benzothiazole
CID 59196632
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline
CID 167612820

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinoxaline;tris(iridium);tris(2-(3-phenylbenzene-6-id-1-yl)-1,3-benzothiazole)?
The IUPAC name of 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinoxaline;tris(iridium);tris(2-(3-phenylbenzene-6-id-1-yl)-1,3-benzothiazole) (CID 158072631) is 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinoxaline;tris(iridium);tris(2-(3-phenylbenzene-6-id-1-yl)-1,3-benzothiazole).
What is the SMILES notation for 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinoxaline;tris(iridium);tris(2-(3-phenylbenzene-6-id-1-yl)-1,3-benzothiazole)?
The canonical SMILES for 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinoxaline;tris(iridium);tris(2-(3-phenylbenzene-6-id-1-yl)-1,3-benzothiazole) is CC1(C)c2c[c-]c(-c3cnc4ccccc4n3)cc2-c2ccccc21.CC1(C)c2c[c-]c(-c3ncc4ccccc4n3)cc2-c2ccccc21.Cc1cccc(C)c1-c1nc(-c2[c-]cc3c(c2)-c2ccccc2C3(C)C)nc2ccccc12.[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[c-]1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.[c-]1ccc(-c2ccccc2)cc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinoxaline;tris(iridium);tris(2-(3-phenylbenzene-6-id-1-yl)-1,3-benzothiazole)?
The InChIKey is HBBODINLMSOVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N2.2C23H17N2.3C19H12NS.3Ir/c1-19-10-9-11-20(2)28(19)29-23-13-6-8-15-27(23)32-30(33-29)21-16-17-26-24(18-21)22-12-5-7-14-25(22)31(26,3)4;1-23(2)19-9-5-4-8-17(19)18-13-15(11-12-20(18)23)22-24-14-16-7-3-6-10-21(16)25-22;1-23(2)18-8-4-3-7-16(18)17-13-15(11-12-19(17)23)22-14-24-20-9-5-6-10-21(20)25-22;3*1-2-7-14(8-3-1)15-9-6-10-16(13-15)19-20-17-11-4-5-12-18(17)21-19;;;/h5-15,17-18H,1-4H3;2*3-10,12-14H,1-2H3;3*1-9,11-13H;;;/q6*-1;;;.
What are the key properties of 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinoxaline;tris(iridium);tris(2-(3-phenylbenzene-6-id-1-yl)-1,3-benzothiazole)?
2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinoxaline;tris(iridium);tris(2-(3-phenylbenzene-6-id-1-yl)-1,3-benzothiazole) has a molecular weight of 2504.15 g/mol, XLogP of 34.78, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-(2,6-dimethylphenyl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinazoline;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)quinoxaline;tris(iridium);tris(2-(3-phenylbenzene-6-id-1-yl)-1,3-benzothiazole) is sourced from PubChem (CID 158072631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).