12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole

C132H93N9OS — CID 158900614

IUPAC12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(c54)C(C)(C)c4ccccc4-6)cc3)nc(-c3ccccc3)c21.CC1(C)c2ccccc2-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)c3)nc(-c3ccccc3)c21.CC1(C)c2ccccc2-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)c3)nc(-c3ccccc3)c21
InChIInChI=1S/C46H35N3.C43H29N3O.C43H29N3S/c1-45(2)36-19-11-8-16-31(36)33-26-27-34-32-17-10-13-21-38(32)49(43(34)39(33)45)30-24-22-29(23-25-30)44-47-41(28-14-6-5-7-15-28)40-42(48-44)35-18-9-12-20-37(35)46(40,3)4;2*1-43(2)34-20-9-6-19-33(34)39-37(43)38(26-13-4-3-5-14-26)44-42(45-39)27-15-12-16-28(25-27)46-35-21-10-7-17-29(35)31-23-24-32-30-18-8-11-22-36(30)47-41(32)40(31)46/h5-27H,1-4H3;2*3-25H,1-2H3
InChIKeyJFJZGTWPNIETDN-UHFFFAOYSA-N
MW1853.32 g/mol
LogP34.22
Rot. Bonds9

About 12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole

12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole (PubChem CID 158900614) has the molecular formula C132H93N9OS and a molecular weight of 1853.32 g/mol. Its IUPAC name is 12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole.

Molecular Properties

Compound Name12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
PubChem CID158900614
Molecular FormulaC132H93N9OS
Molecular Weight1853.32 g/mol
Exact Mass1851.72
IUPAC Name12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(c54)C(C)(C)c4ccccc4-6)cc3)nc(-c3ccccc3)c21.CC1(C)c2ccccc2-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)c3)nc(-c3ccccc3)c21.CC1(C)c2ccccc2-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)c3)nc(-c3ccccc3)c21
InChIInChI=1S/C46H35N3.C43H29N3O.C43H29N3S/c1-45(2)36-19-11-8-16-31(36)33-26-27-34-32-17-10-13-21-38(32)49(43(34)39(33)45)30-24-22-29(23-25-30)44-47-41(28-14-6-5-7-15-28)40-42(48-44)35-18-9-12-20-37(35)46(40,3)4;2*1-43(2)34-20-9-6-19-33(34)39-37(43)38(26-13-4-3-5-14-26)44-42(45-39)27-15-12-16-28(25-27)46-35-21-10-7-17-29(35)31-23-24-32-30-18-8-11-22-36(30)47-41(32)40(31)46/h5-27H,1-4H3;2*3-25H,1-2H3
InChIKeyJFJZGTWPNIETDN-UHFFFAOYSA-N
XLogP34.22
TPSA105.27 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001853.32
LogP ≤ 534.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole with MolForge

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Related Compounds

12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-18-phenyl-15,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17(25),19,21,23,26-dodecaene
CID 159872132
12-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 157438203
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;12-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[2,3-a]carbazole;4-phenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 161378881
2-(3-carbazol-9-ylphenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine;2-(3-carbazol-9-ylphenyl)-5,5-dimethyl-4-(3-phenylphenyl)indeno[1,2-d]pyrimidine;2-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine;2-(3-dibenzothiophen-4-ylphenyl)-5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidine
CID 159915916
[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;(3-carbazol-9-ylphenyl)-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-diphenylsilane;(3-carbazol-9-ylphenyl)-diphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane
CID 161099119
11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12,12-dimethylindeno[2,1-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
CID 161394773
2-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 130333806
12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 158627834
11-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 169014731
12-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166953083
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;10-(11,11-dimethyl-1-phenylindeno[2,1-f]quinazolin-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 157141349
4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;5-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;2-phenyl-4-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 158730008

Frequently Asked Questions

What is the IUPAC name of 12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole?
The IUPAC name of 12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole (CID 158900614) is 12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole.
What is the SMILES notation for 12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole?
The canonical SMILES for 12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(c54)C(C)(C)c4ccccc4-6)cc3)nc(-c3ccccc3)c21.CC1(C)c2ccccc2-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)c3)nc(-c3ccccc3)c21.CC1(C)c2ccccc2-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)c3)nc(-c3ccccc3)c21.
What is the InChIKey of 12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole?
The InChIKey is JFJZGTWPNIETDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N3.C43H29N3O.C43H29N3S/c1-45(2)36-19-11-8-16-31(36)33-26-27-34-32-17-10-13-21-38(32)49(43(34)39(33)45)30-24-22-29(23-25-30)44-47-41(28-14-6-5-7-15-28)40-42(48-44)35-18-9-12-20-37(35)46(40,3)4;2*1-43(2)34-20-9-6-19-33(34)39-37(43)38(26-13-4-3-5-14-26)44-42(45-39)27-15-12-16-28(25-27)46-35-21-10-7-17-29(35)31-23-24-32-30-18-8-11-22-36(30)47-41(32)40(31)46/h5-27H,1-4H3;2*3-25H,1-2H3.
What are the key properties of 12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole?
12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole has a molecular weight of 1853.32 g/mol, XLogP of 34.22, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole is sourced from PubChem (CID 158900614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).