2-(7-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-(4-bromophenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3-[2-(2-bromophenyl)phenyl]-9-phenylcarbazole;3-[2-(3-bromophenyl)phenyl]-9-phenylcarbazole;3-[3-(2-bromophenyl)phenyl]-9-phenylcarbazole

C152H98Br5N5S — CID 158593296

IUPAC2-(7-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-(4-bromophenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3-[2-(2-bromophenyl)phenyl]-9-phenylcarbazole;3-[2-(3-bromophenyl)phenyl]-9-phenylcarbazole;3-[3-(2-bromophenyl)phenyl]-9-phenylcarbazole
SMILESBrc1ccc(-c2cc3c(c4ccccc24)c2ccc4ccccc4c2n3-c2ccccc2)cc1.Brc1ccc2c(c1)sc1ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc12.Brc1cccc(-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.Brc1ccccc1-c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.Brc1ccccc1-c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C32H20BrN.C30H18BrNS.3C30H20BrN/c33-23-17-14-22(15-18-23)29-20-30-31(27-13-7-6-12-26(27)29)28-19-16-21-8-4-5-11-25(21)32(28)34(30)24-9-2-1-3-10-24;31-21-12-14-25-26-16-19(11-15-29(26)33-30(25)18-21)20-10-13-24-23-8-4-5-9-27(23)32(28(24)17-20)22-6-2-1-3-7-22;31-28-15-6-4-13-25(28)23-10-8-9-21(19-23)22-17-18-30-27(20-22)26-14-5-7-16-29(26)32(30)24-11-2-1-3-12-24;31-28-16-8-6-14-25(28)24-13-5-4-12-23(24)21-18-19-30-27(20-21)26-15-7-9-17-29(26)32(30)22-10-2-1-3-11-22;31-23-10-8-9-21(19-23)25-13-4-5-14-26(25)22-17-18-30-28(20-22)27-15-6-7-16-29(27)32(30)24-11-2-1-3-12-24/h1-20H;1-18H;3*1-20H
InChIKeyHUSBIFILDTZIFJ-UHFFFAOYSA-N
MW2426.08 g/mol
LogP45.74
Rot. Bonds13

About 2-(7-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-(4-bromophenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3-[2-(2-bromophenyl)phenyl]-9-phenylcarbazole;3-[2-(3-bromophenyl)phenyl]-9-phenylcarbazole;3-[3-(2-bromophenyl)phenyl]-9-phenylcarbazole

2-(7-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-(4-bromophenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3-[2-(2-bromophenyl)phenyl]-9-phenylcarbazole;3-[2-(3-bromophenyl)phenyl]-9-phenylcarbazole;3-[3-(2-bromophenyl)phenyl]-9-phenylcarbazole (PubChem CID 158593296) has the molecular formula C152H98Br5N5S and a molecular weight of 2426.08 g/mol. Its IUPAC name is 2-(7-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-(4-bromophenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3-[2-(2-bromophenyl)phenyl]-9-phenylcarbazole;3-[2-(3-bromophenyl)phenyl]-9-phenylcarbazole;3-[3-(2-bromophenyl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-(7-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-(4-bromophenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3-[2-(2-bromophenyl)phenyl]-9-phenylcarbazole;3-[2-(3-bromophenyl)phenyl]-9-phenylcarbazole;3-[3-(2-bromophenyl)phenyl]-9-phenylcarbazole
PubChem CID158593296
Molecular FormulaC152H98Br5N5S
Molecular Weight2426.08 g/mol
Exact Mass2419.35
IUPAC Name2-(7-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-(4-bromophenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3-[2-(2-bromophenyl)phenyl]-9-phenylcarbazole;3-[2-(3-bromophenyl)phenyl]-9-phenylcarbazole;3-[3-(2-bromophenyl)phenyl]-9-phenylcarbazole
SMILESBrc1ccc(-c2cc3c(c4ccccc24)c2ccc4ccccc4c2n3-c2ccccc2)cc1.Brc1ccc2c(c1)sc1ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc12.Brc1cccc(-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.Brc1ccccc1-c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.Brc1ccccc1-c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C32H20BrN.C30H18BrNS.3C30H20BrN/c33-23-17-14-22(15-18-23)29-20-30-31(27-13-7-6-12-26(27)29)28-19-16-21-8-4-5-11-25(21)32(28)34(30)24-9-2-1-3-10-24;31-21-12-14-25-26-16-19(11-15-29(26)33-30(25)18-21)20-10-13-24-23-8-4-5-9-27(23)32(28(24)17-20)22-6-2-1-3-7-22;31-28-15-6-4-13-25(28)23-10-8-9-21(19-23)22-17-18-30-27(20-22)26-14-5-7-16-29(26)32(30)24-11-2-1-3-12-24;31-28-16-8-6-14-25(28)24-13-5-4-12-23(24)21-18-19-30-27(20-21)26-15-7-9-17-29(26)32(30)22-10-2-1-3-11-22;31-23-10-8-9-21(19-23)25-13-4-5-14-26(25)22-17-18-30-28(20-22)27-15-6-7-16-29(27)32(30)24-11-2-1-3-12-24/h1-20H;1-18H;3*1-20H
InChIKeyHUSBIFILDTZIFJ-UHFFFAOYSA-N
XLogP45.74
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms163
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002426.08
LogP ≤ 545.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(7-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-(4-bromophenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3-[2-(2-bromophenyl)phenyl]-9-phenylcarbazole;3-[2-(3-bromophenyl)phenyl]-9-phenylcarbazole;3-[3-(2-bromophenyl)phenyl]-9-phenylcarbazole with MolForge

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Related Compounds

2-[2-(4-bromophenyl)phenyl]-7-dibenzothiophen-2-yl-9-phenylcarbazole;2-[2-(4-bromophenyl)phenyl]-6,9-diphenylcarbazole;2-[2-(4-bromophenyl)phenyl]-7,9-diphenylcarbazole;2-[2-(4-bromophenyl)phenyl]-9-naphthalen-1-ylcarbazole
CID 157373948
9-(4-bromophenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130452326
4-dibenzothiophen-2-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168781954
2-[2-(2-bromophenyl)phenyl]-6,9-diphenylcarbazole;2-[2-(2-bromophenyl)phenyl]-7,9-diphenylcarbazole;2-[2-(2-bromophenyl)phenyl]-9-naphthalen-1-ylcarbazole;2-[2-(2-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole;2-[2-(2-bromophenyl)phenyl]-9-phenylcarbazole;2-[2-(2-bromophenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 159429961
9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9,16-diphenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;5-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 159653357
2-[4-(3-bromophenyl)-2-phenylphenyl]-9-phenylcarbazole
CID 118265965
9-[9-[3-(3-fluoranthen-8-ylphenyl)phenyl]carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304261
8-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[9-[2-(4-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-[2-(4-fluoranthen-3-ylphenyl)phenyl]-9-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(3-fluoranthen-3-ylphenyl)phenyl]-9-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 158028690
11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304405
2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole
CID 118289181
16-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;5,12-diphenylindolo[3,2-c]carbazole;14-phenyl-3-(3-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 161350792
2-[2-bromo-3-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-7-[4-(3-bromophenyl)-3-phenylphenyl]-9-phenylcarbazole
CID 144892729

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-(4-bromophenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3-[2-(2-bromophenyl)phenyl]-9-phenylcarbazole;3-[2-(3-bromophenyl)phenyl]-9-phenylcarbazole;3-[3-(2-bromophenyl)phenyl]-9-phenylcarbazole?
The IUPAC name of 2-(7-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-(4-bromophenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3-[2-(2-bromophenyl)phenyl]-9-phenylcarbazole;3-[2-(3-bromophenyl)phenyl]-9-phenylcarbazole;3-[3-(2-bromophenyl)phenyl]-9-phenylcarbazole (CID 158593296) is 2-(7-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-(4-bromophenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3-[2-(2-bromophenyl)phenyl]-9-phenylcarbazole;3-[2-(3-bromophenyl)phenyl]-9-phenylcarbazole;3-[3-(2-bromophenyl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-(7-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-(4-bromophenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3-[2-(2-bromophenyl)phenyl]-9-phenylcarbazole;3-[2-(3-bromophenyl)phenyl]-9-phenylcarbazole;3-[3-(2-bromophenyl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-(7-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-(4-bromophenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3-[2-(2-bromophenyl)phenyl]-9-phenylcarbazole;3-[2-(3-bromophenyl)phenyl]-9-phenylcarbazole;3-[3-(2-bromophenyl)phenyl]-9-phenylcarbazole is Brc1ccc(-c2cc3c(c4ccccc24)c2ccc4ccccc4c2n3-c2ccccc2)cc1.Brc1ccc2c(c1)sc1ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc12.Brc1cccc(-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.Brc1ccccc1-c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.Brc1ccccc1-c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 2-(7-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-(4-bromophenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3-[2-(2-bromophenyl)phenyl]-9-phenylcarbazole;3-[2-(3-bromophenyl)phenyl]-9-phenylcarbazole;3-[3-(2-bromophenyl)phenyl]-9-phenylcarbazole?
The InChIKey is HUSBIFILDTZIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20BrN.C30H18BrNS.3C30H20BrN/c33-23-17-14-22(15-18-23)29-20-30-31(27-13-7-6-12-26(27)29)28-19-16-21-8-4-5-11-25(21)32(28)34(30)24-9-2-1-3-10-24;31-21-12-14-25-26-16-19(11-15-29(26)33-30(25)18-21)20-10-13-24-23-8-4-5-9-27(23)32(28(24)17-20)22-6-2-1-3-7-22;31-28-15-6-4-13-25(28)23-10-8-9-21(19-23)22-17-18-30-27(20-22)26-14-5-7-16-29(26)32(30)24-11-2-1-3-12-24;31-28-16-8-6-14-25(28)24-13-5-4-12-23(24)21-18-19-30-27(20-21)26-15-7-9-17-29(26)32(30)22-10-2-1-3-11-22;31-23-10-8-9-21(19-23)25-13-4-5-14-26(25)22-17-18-30-28(20-22)27-15-6-7-16-29(27)32(30)24-11-2-1-3-12-24/h1-20H;1-18H;3*1-20H.
What are the key properties of 2-(7-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-(4-bromophenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3-[2-(2-bromophenyl)phenyl]-9-phenylcarbazole;3-[2-(3-bromophenyl)phenyl]-9-phenylcarbazole;3-[3-(2-bromophenyl)phenyl]-9-phenylcarbazole?
2-(7-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-(4-bromophenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3-[2-(2-bromophenyl)phenyl]-9-phenylcarbazole;3-[2-(3-bromophenyl)phenyl]-9-phenylcarbazole;3-[3-(2-bromophenyl)phenyl]-9-phenylcarbazole has a molecular weight of 2426.08 g/mol, XLogP of 45.74, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-(4-bromophenyl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;3-[2-(2-bromophenyl)phenyl]-9-phenylcarbazole;3-[2-(3-bromophenyl)phenyl]-9-phenylcarbazole;3-[3-(2-bromophenyl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 158593296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).