5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole

C135H93N3OS2 — CID 159212687

IUPAC5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccc(-c5ccccc5)cc4n(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccc(-c5ccccc5)cc4n(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4)c3cc21
InChIInChI=1S/C45H31NO.2C45H31NS/c1-45(2)39-18-6-3-13-33(39)37-26-38-34-14-4-7-19-41(34)46(42(38)27-40(37)45)31-12-9-11-30(25-31)28-21-23-29(24-22-28)32-16-10-17-36-35-15-5-8-20-43(35)47-44(32)36;1-45(2)39-20-8-6-16-33(39)37-26-38-34-23-22-29(28-12-4-3-5-13-28)25-41(34)46(42(38)27-40(37)45)31-15-10-14-30(24-31)32-18-11-19-36-35-17-7-9-21-43(35)47-44(32)36;1-45(2)39-17-8-6-13-33(39)37-26-38-34-24-21-30(28-11-4-3-5-12-28)25-41(34)46(42(38)27-40(37)45)31-22-19-29(20-23-31)32-15-10-16-36-35-14-7-9-18-43(35)47-44(32)36/h3*3-27H,1-2H3
InChIKeyKQRRBGCYBADIMX-UHFFFAOYSA-N
MW1837.38 g/mol
LogP37.91
Rot. Bonds9

About 5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole

5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole (PubChem CID 159212687) has the molecular formula C135H93N3OS2 and a molecular weight of 1837.38 g/mol. Its IUPAC name is 5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole
PubChem CID159212687
Molecular FormulaC135H93N3OS2
Molecular Weight1837.38 g/mol
Exact Mass1835.68
IUPAC Name5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccc(-c5ccccc5)cc4n(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccc(-c5ccccc5)cc4n(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4)c3cc21
InChIInChI=1S/C45H31NO.2C45H31NS/c1-45(2)39-18-6-3-13-33(39)37-26-38-34-14-4-7-19-41(34)46(42(38)27-40(37)45)31-12-9-11-30(25-31)28-21-23-29(24-22-28)32-16-10-17-36-35-15-5-8-20-43(35)47-44(32)36;1-45(2)39-20-8-6-16-33(39)37-26-38-34-23-22-29(28-12-4-3-5-13-28)25-41(34)46(42(38)27-40(37)45)31-15-10-14-30(24-31)32-18-11-19-36-35-17-7-9-21-43(35)47-44(32)36;1-45(2)39-17-8-6-13-33(39)37-26-38-34-24-21-30(28-11-4-3-5-12-28)25-41(34)46(42(38)27-40(37)45)31-22-19-29(20-23-31)32-15-10-16-36-35-14-7-9-18-43(35)47-44(32)36/h3*3-27H,1-2H3
InChIKeyKQRRBGCYBADIMX-UHFFFAOYSA-N
XLogP37.91
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001837.38
LogP ≤ 537.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole with MolForge

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Related Compounds

9-(3-dibenzofuran-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-triphenylen-2-ylcarbazole;9-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-triphenylen-2-ylcarbazole
CID 159453257
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
2-carbazol-9-yl-9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[4-(3-dibenzofuran-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 159901697
5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 163717305
2-(9,9-dimethylfluoren-2-yl)triphenylene;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;2-(3,5-diphenylphenyl)triphenylene;2-[3-(3-phenylphenyl)phenyl]triphenylene;2-(3-phenylphenyl)triphenylene;9-triphenylen-2-ylcarbazole;2-triphenylen-2-yldibenzofuran;4-triphenylen-2-yldibenzofuran;2-triphenylen-2-yldibenzothiophene;4-triphenylen-2-yldibenzothiophene
CID 158307851
11-(4-dibenzofuran-1-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-2-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-4-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-1-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazole;11-[4-(9,9-dimethylfluoren-3-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 161290833
15-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-(4-carbazol-9-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-(4-dibenzothiophen-2-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-(4-dibenzothiophen-4-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-dibenzothiophen-3-yl-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(carbazol-9-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-[4-(9-phenylcarbazol-3-yl)phenyl]-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;11,11,19,19-tetramethyl-15-(8-phenyldibenzofuran-2-yl)-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
CID 159078168
N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-triphenylen-2-ylphenyl)fluoren-2-amine
CID 158948861
5-(4-dibenzofuran-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 159515126
12-[3-[3-[5-(3-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 123161041
9-(3-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzothiophen-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-dibenzothiophen-2-yl-2-triphenylen-2-ylcarbazole;9-[4-(8-phenyldibenzofuran-4-yl)phenyl]-2-triphenylen-2-ylcarbazole
CID 159533266
2-dibenzofuran-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;2-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 157382903

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole?
The IUPAC name of 5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole (CID 159212687) is 5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccc(-c5ccccc5)cc4n(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccc(-c5ccccc5)cc4n(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4)c3cc21.
What is the InChIKey of 5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole?
The InChIKey is KQRRBGCYBADIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31NO.2C45H31NS/c1-45(2)39-18-6-3-13-33(39)37-26-38-34-14-4-7-19-41(34)46(42(38)27-40(37)45)31-12-9-11-30(25-31)28-21-23-29(24-22-28)32-16-10-17-36-35-15-5-8-20-43(35)47-44(32)36;1-45(2)39-20-8-6-16-33(39)37-26-38-34-23-22-29(28-12-4-3-5-13-28)25-41(34)46(42(38)27-40(37)45)31-15-10-14-30(24-31)32-18-11-19-36-35-17-7-9-21-43(35)47-44(32)36;1-45(2)39-17-8-6-13-33(39)37-26-38-34-24-21-30(28-11-4-3-5-12-28)25-41(34)46(42(38)27-40(37)45)31-22-19-29(20-23-31)32-15-10-16-36-35-14-7-9-18-43(35)47-44(32)36/h3*3-27H,1-2H3.
What are the key properties of 5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole?
5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole has a molecular weight of 1837.38 g/mol, XLogP of 37.91, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole is sourced from PubChem (CID 159212687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).