9-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyrimidin-2-yl]-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2,3-diphenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e]benzimidazole

C144H92N10OS — CID 157258466

IUPAC9-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyrimidin-2-yl]-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2,3-diphenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e]benzimidazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc5c(ccc6ccc7sc(-c8ccccc8)nc7c65)c4)n3)cc21.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(ccc6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c65)c4)n3)cc2)cc1.c1ccc(-c2nc3ccc4ccc5cc(-c6nc(-c7ccc8ccccc8c7)cc(-c7ccc8ccccc8c7)n6)ccc5c4c3o2)cc1
InChIInChI=1S/C50H33N3S.C49H32N4.C45H27N3O/c1-50(2)41-15-9-8-14-39(41)40-24-20-36(28-42(40)50)44-29-43(35-19-16-30-10-6-7-13-33(30)26-35)51-48(52-44)37-21-23-38-34(27-37)18-17-31-22-25-45-47(46(31)38)53-49(54-45)32-11-4-3-5-12-32;1-5-13-33(14-6-1)34-21-23-36(24-22-34)44-32-43(35-15-7-2-8-16-35)50-48(51-44)40-27-29-42-39(31-40)26-25-37-28-30-45-47(46(37)42)52-49(38-17-9-3-10-18-38)53(45)41-19-11-4-12-20-41;1-2-10-31(11-3-1)45-48-39-23-21-30-16-17-34-26-37(20-22-38(34)42(30)43(39)49-45)44-46-40(35-18-14-28-8-4-6-12-32(28)24-35)27-41(47-44)36-19-15-29-9-5-7-13-33(29)25-36/h3-29H,1-2H3;1-32H;1-27H
InChIKeyAXEBPZYDODNGEB-UHFFFAOYSA-N
MW2010.46 g/mol
LogP37.88
Rot. Bonds14

About 9-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyrimidin-2-yl]-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2,3-diphenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e]benzimidazole

9-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyrimidin-2-yl]-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2,3-diphenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e]benzimidazole (PubChem CID 157258466) has the molecular formula C144H92N10OS and a molecular weight of 2010.46 g/mol. Its IUPAC name is 9-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyrimidin-2-yl]-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2,3-diphenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e]benzimidazole.

Molecular Properties

Compound Name9-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyrimidin-2-yl]-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2,3-diphenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e]benzimidazole
PubChem CID157258466
Molecular FormulaC144H92N10OS
Molecular Weight2010.46 g/mol
Exact Mass2008.72
IUPAC Name9-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyrimidin-2-yl]-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2,3-diphenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e]benzimidazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc5c(ccc6ccc7sc(-c8ccccc8)nc7c65)c4)n3)cc21.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(ccc6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c65)c4)n3)cc2)cc1.c1ccc(-c2nc3ccc4ccc5cc(-c6nc(-c7ccc8ccccc8c7)cc(-c7ccc8ccccc8c7)n6)ccc5c4c3o2)cc1
InChIInChI=1S/C50H33N3S.C49H32N4.C45H27N3O/c1-50(2)41-15-9-8-14-39(41)40-24-20-36(28-42(40)50)44-29-43(35-19-16-30-10-6-7-13-33(30)26-35)51-48(52-44)37-21-23-38-34(27-37)18-17-31-22-25-45-47(46(31)38)53-49(54-45)32-11-4-3-5-12-32;1-5-13-33(14-6-1)34-21-23-36(24-22-34)44-32-43(35-15-7-2-8-16-35)50-48(51-44)40-27-29-42-39(31-40)26-25-37-28-30-45-47(46(37)42)52-49(38-17-9-3-10-18-38)53(45)41-19-11-4-12-20-41;1-2-10-31(11-3-1)45-48-39-23-21-30-16-17-34-26-37(20-22-38(34)42(30)43(39)49-45)44-46-40(35-18-14-28-8-4-6-12-32(28)24-35)27-41(47-44)36-19-15-29-9-5-7-13-33(29)25-36/h3-29H,1-2H3;1-32H;1-27H
InChIKeyAXEBPZYDODNGEB-UHFFFAOYSA-N
XLogP37.88
TPSA134.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002010.46
LogP ≤ 537.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 9-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyrimidin-2-yl]-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2,3-diphenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e]benzimidazole with MolForge

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Related Compounds

9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzothiazole
CID 159319069
2-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-e][1,3]benzothiazole;9-(4,6-diphenylpyrimidin-2-yl)-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-diphenylpyrimidin-2-yl)-2-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-e][1,3]benzothiazole
CID 162218387
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[e][1,3]benzothiazol-8-amine;2-phenyl-N,N-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
CID 161071511
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N,2-diphenylnaphtho[1,2-e][1,3]benzothiazol-9-amine;N-phenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]naphthalen-2-amine;2-phenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e][1,3]benzoxazole
CID 160875323
2-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-e][1,3]benzothiazole;4-(4,6-diphenylpyrimidin-2-yl)-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-diphenylpyrimidin-2-yl)-2-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-e][1,3]benzothiazole
CID 158185451
9-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole
CID 135253542
18-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631370
12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[6-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163851259
9,9-dimethyl-N-[4-(2-naphthalen-2-ylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]-N-phenylfluoren-2-amine
CID 171607645
9-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764324
10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 147893575
9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-2-phenylnaphtho[1,2-e]benzotriazole
CID 168743071

Frequently Asked Questions

What is the IUPAC name of 9-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyrimidin-2-yl]-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2,3-diphenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e]benzimidazole?
The IUPAC name of 9-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyrimidin-2-yl]-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2,3-diphenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e]benzimidazole (CID 157258466) is 9-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyrimidin-2-yl]-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2,3-diphenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e]benzimidazole.
What is the SMILES notation for 9-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyrimidin-2-yl]-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2,3-diphenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e]benzimidazole?
The canonical SMILES for 9-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyrimidin-2-yl]-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2,3-diphenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e]benzimidazole is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc5c(ccc6ccc7sc(-c8ccccc8)nc7c65)c4)n3)cc21.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(ccc6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c65)c4)n3)cc2)cc1.c1ccc(-c2nc3ccc4ccc5cc(-c6nc(-c7ccc8ccccc8c7)cc(-c7ccc8ccccc8c7)n6)ccc5c4c3o2)cc1.
What is the InChIKey of 9-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyrimidin-2-yl]-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2,3-diphenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e]benzimidazole?
The InChIKey is AXEBPZYDODNGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3S.C49H32N4.C45H27N3O/c1-50(2)41-15-9-8-14-39(41)40-24-20-36(28-42(40)50)44-29-43(35-19-16-30-10-6-7-13-33(30)26-35)51-48(52-44)37-21-23-38-34(27-37)18-17-31-22-25-45-47(46(31)38)53-49(54-45)32-11-4-3-5-12-32;1-5-13-33(14-6-1)34-21-23-36(24-22-34)44-32-43(35-15-7-2-8-16-35)50-48(51-44)40-27-29-42-39(31-40)26-25-37-28-30-45-47(46(37)42)52-49(38-17-9-3-10-18-38)53(45)41-19-11-4-12-20-41;1-2-10-31(11-3-1)45-48-39-23-21-30-16-17-34-26-37(20-22-38(34)42(30)43(39)49-45)44-46-40(35-18-14-28-8-4-6-12-32(28)24-35)27-41(47-44)36-19-15-29-9-5-7-13-33(29)25-36/h3-29H,1-2H3;1-32H;1-27H.
What are the key properties of 9-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyrimidin-2-yl]-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2,3-diphenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e]benzimidazole?
9-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyrimidin-2-yl]-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2,3-diphenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e]benzimidazole has a molecular weight of 2010.46 g/mol, XLogP of 37.88, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyrimidin-2-yl]-2-phenylnaphtho[1,2-e][1,3]benzothiazole;9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2,3-diphenyl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphtho[1,2-e]benzimidazole is sourced from PubChem (CID 157258466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).