7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole

C129H85N9S2 — CID 157086336

IUPAC7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nccc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)n4)c3cc21.c1ccc(-c2ccc(-c3cccc(-c4ccnc(-c5ccc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)cc5)n4)c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4ccnc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)n4)cc3)c2)cc1
InChIInChI=1S/C46H29N3S.C43H31N3.C40H25N3S/c1-2-9-30(10-3-1)31-17-19-32(20-18-31)34-11-8-12-35(29-34)40-27-28-47-46(48-40)33-21-23-36(24-22-33)49-41-15-6-4-14-39(41)44-42(49)26-25-38-37-13-5-7-16-43(37)50-45(38)44;1-43(2)37-17-8-6-15-33(37)35-26-36-34-16-7-9-18-40(34)46(41(36)27-38(35)43)42-44-24-23-39(45-42)30-21-19-29(20-22-30)32-14-10-13-31(25-32)28-11-4-3-5-12-28;1-2-9-26(10-3-1)29-11-8-12-30(25-29)27-17-19-28(20-18-27)34-23-24-41-40(42-34)43-35-15-6-4-14-33(35)38-36(43)22-21-32-31-13-5-7-16-37(31)44-39(32)38/h1-29H;3-27H,1-2H3;1-25H
InChIKeyAECYHYJLMNDXGG-UHFFFAOYSA-N
MW1825.30 g/mol
LogP34.43
Rot. Bonds13

About 7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole

7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 157086336) has the molecular formula C129H85N9S2 and a molecular weight of 1825.30 g/mol. Its IUPAC name is 7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID157086336
Molecular FormulaC129H85N9S2
Molecular Weight1825.30 g/mol
Exact Mass1823.64
IUPAC Name7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nccc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)n4)c3cc21.c1ccc(-c2ccc(-c3cccc(-c4ccnc(-c5ccc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)cc5)n4)c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4ccnc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)n4)cc3)c2)cc1
InChIInChI=1S/C46H29N3S.C43H31N3.C40H25N3S/c1-2-9-30(10-3-1)31-17-19-32(20-18-31)34-11-8-12-35(29-34)40-27-28-47-46(48-40)33-21-23-36(24-22-33)49-41-15-6-4-14-39(41)44-42(49)26-25-38-37-13-5-7-16-43(37)50-45(38)44;1-43(2)37-17-8-6-15-33(37)35-26-36-34-16-7-9-18-40(34)46(41(36)27-38(35)43)42-44-24-23-39(45-42)30-21-19-29(20-22-30)32-14-10-13-31(25-32)28-11-4-3-5-12-28;1-2-9-26(10-3-1)29-11-8-12-30(25-29)27-17-19-28(20-18-27)34-23-24-41-40(42-34)43-35-15-6-4-14-33(35)38-36(43)22-21-32-31-13-5-7-16-37(31)44-39(32)38/h1-29H;3-27H,1-2H3;1-25H
InChIKeyAECYHYJLMNDXGG-UHFFFAOYSA-N
XLogP34.43
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001825.30
LogP ≤ 534.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole with MolForge

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Related Compounds

7,7-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;4-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-[1]benzothiolo[3,2-b]carbazole;5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 159415052
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 160957754
3-dibenzothiophen-4-yl-9-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole;3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157441930
9-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)carbazol-3-yl]-5-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 170096364
7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole
CID 71235175
11,11-dimethyl-5-phenyl-2-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]indeno[1,2-b]carbazole
CID 90050448
5-[4-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 163545028
9-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-(3-triphenylen-2-ylphenyl)pyrimidin-2-yl]carbazole
CID 161255304
3-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 158689854
2-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-c]carbazole;3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-[4-(9-phenylcarbazol-2-yl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 160697794
6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-[3-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 170224536
2-phenyl-5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 71235204

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole (CID 157086336) is 7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nccc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)n4)c3cc21.c1ccc(-c2ccc(-c3cccc(-c4ccnc(-c5ccc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)cc5)n4)c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4ccnc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)n4)cc3)c2)cc1.
What is the InChIKey of 7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is AECYHYJLMNDXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3S.C43H31N3.C40H25N3S/c1-2-9-30(10-3-1)31-17-19-32(20-18-31)34-11-8-12-35(29-34)40-27-28-47-46(48-40)33-21-23-36(24-22-33)49-41-15-6-4-14-39(41)44-42(49)26-25-38-37-13-5-7-16-43(37)50-45(38)44;1-43(2)37-17-8-6-15-33(37)35-26-36-34-16-7-9-18-40(34)46(41(36)27-38(35)43)42-44-24-23-39(45-42)30-21-19-29(20-22-30)32-14-10-13-31(25-32)28-11-4-3-5-12-28;1-2-9-26(10-3-1)29-11-8-12-30(25-29)27-17-19-28(20-18-27)34-23-24-41-40(42-34)43-35-15-6-4-14-33(35)38-36(43)22-21-32-31-13-5-7-16-37(31)44-39(32)38/h1-29H;3-27H,1-2H3;1-25H.
What are the key properties of 7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 1825.30 g/mol, XLogP of 34.43, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 157086336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).