5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole

C158H104N10OS — CID 159749982

IUPAC5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)c6ccccc6n5)ccc43)c2)cc1
InChIInChI=1S/C50H32N4.C37H27N3.C36H23NO.C35H22N2S/c1-3-14-33(15-4-1)35-18-13-19-38(30-35)53-45-24-11-8-20-39(45)42-31-36(26-28-47(42)53)37-27-29-48-43(32-37)40-21-9-12-25-46(40)54(48)50-51-44-23-10-7-22-41(44)49(52-50)34-16-5-2-6-17-34;1-37(2)30-19-11-9-17-26(30)28-22-34-29(21-31(28)37)27-18-10-12-20-33(27)40(34)35-23-32(24-13-5-3-6-14-24)38-36(39-35)25-15-7-4-8-16-25;1-3-11-24(12-4-1)26-21-27(25-13-5-2-6-14-25)23-28(22-26)37-32-17-9-7-16-31(32)35-33(37)20-19-30-29-15-8-10-18-34(29)38-36(30)35;1-3-11-23(12-4-1)25-21-30(24-13-5-2-6-14-24)36-33(22-25)37-31-17-9-7-15-26(31)28-19-20-29-27-16-8-10-18-32(27)38-35(29)34(28)37/h1-32H;3-23H,1-2H3;1-23H;1-22H
InChIKeyNDNMFOWABMCYQF-UHFFFAOYSA-N
MW2190.71 g/mol
LogP41.94
Rot. Bonds14

About 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole

5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole (PubChem CID 159749982) has the molecular formula C158H104N10OS and a molecular weight of 2190.71 g/mol. Its IUPAC name is 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole
PubChem CID159749982
Molecular FormulaC158H104N10OS
Molecular Weight2190.71 g/mol
Exact Mass2188.81
IUPAC Name5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)c6ccccc6n5)ccc43)c2)cc1
InChIInChI=1S/C50H32N4.C37H27N3.C36H23NO.C35H22N2S/c1-3-14-33(15-4-1)35-18-13-19-38(30-35)53-45-24-11-8-20-39(45)42-31-36(26-28-47(42)53)37-27-29-48-43(32-37)40-21-9-12-25-46(40)54(48)50-51-44-23-10-7-22-41(44)49(52-50)34-16-5-2-6-17-34;1-37(2)30-19-11-9-17-26(30)28-22-34-29(21-31(28)37)27-18-10-12-20-33(27)40(34)35-23-32(24-13-5-3-6-14-24)38-36(39-35)25-15-7-4-8-16-25;1-3-11-24(12-4-1)26-21-27(25-13-5-2-6-14-25)23-28(22-26)37-32-17-9-7-16-31(32)35-33(37)20-19-30-29-15-8-10-18-34(29)38-36(30)35;1-3-11-23(12-4-1)25-21-30(24-13-5-2-6-14-24)36-33(22-25)37-31-17-9-7-15-26(31)28-19-20-29-27-16-8-10-18-32(27)38-35(29)34(28)37/h1-32H;3-23H,1-2H3;1-23H;1-22H
InChIKeyNDNMFOWABMCYQF-UHFFFAOYSA-N
XLogP41.94
TPSA102.24 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002190.71
LogP ≤ 541.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole with MolForge

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Related Compounds

7-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[c]carbazole;3-(3-phenylphenyl)-5-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 158126193
5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11,11-dimethyl-5-(3-phenylquinoxalin-2-yl)indeno[1,2-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-3-phenylindeno[1,2-b]carbazole
CID 159792818
5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 159969204
9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 162125206
9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;molecular hydrogen;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 162102666
5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146215678
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
5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;12-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;5-[3,5-di(pyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 162014164
3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 158788223
9-[4,6-bis(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-3-dibenzofuran-2-ylcarbazole;9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-3-dibenzothiophen-2-ylcarbazole;10-(8-carbazol-9-yldibenzofuran-2-yl)-7-(4,6-diphenyl-2-pyridinyl)pyrazino[2,3-c]carbazole;3-dibenzofuran-2-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole;3-dibenzofuran-2-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 158892899
2-[9-[9,9-dimethyl-7-(4-phenylpyrimidin-2-yl)fluoren-2-yl]carbazol-3-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 158659410
9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 158783189

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole?
The IUPAC name of 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole (CID 159749982) is 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole.
What is the SMILES notation for 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole?
The canonical SMILES for 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)c6ccccc6n5)ccc43)c2)cc1.
What is the InChIKey of 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole?
The InChIKey is NDNMFOWABMCYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4.C37H27N3.C36H23NO.C35H22N2S/c1-3-14-33(15-4-1)35-18-13-19-38(30-35)53-45-24-11-8-20-39(45)42-31-36(26-28-47(42)53)37-27-29-48-43(32-37)40-21-9-12-25-46(40)54(48)50-51-44-23-10-7-22-41(44)49(52-50)34-16-5-2-6-17-34;1-37(2)30-19-11-9-17-26(30)28-22-34-29(21-31(28)37)27-18-10-12-20-33(27)40(34)35-23-32(24-13-5-3-6-14-24)38-36(39-35)25-15-7-4-8-16-25;1-3-11-24(12-4-1)26-21-27(25-13-5-2-6-14-25)23-28(22-26)37-32-17-9-7-16-31(32)35-33(37)20-19-30-29-15-8-10-18-34(29)38-36(30)35;1-3-11-23(12-4-1)25-21-30(24-13-5-2-6-14-24)36-33(22-25)37-31-17-9-7-15-26(31)28-19-20-29-27-16-8-10-18-32(27)38-35(29)34(28)37/h1-32H;3-23H,1-2H3;1-23H;1-22H.
What are the key properties of 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole?
5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole has a molecular weight of 2190.71 g/mol, XLogP of 41.94, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole is sourced from PubChem (CID 159749982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).