3-(3,5-dibromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;17-(3,5-dibromophenyl)-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-(3,5-dibromophenyl)-9-(4-phenylphenyl)carbazole;3-(4,6-dibromo-1,3,5-triazin-2-yl)-9-phenylcarbazole

C116H70Br8N10 — CID 157189781

IUPAC3-(3,5-dibromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;17-(3,5-dibromophenyl)-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-(3,5-dibromophenyl)-9-(4-phenylphenyl)carbazole;3-(4,6-dibromo-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESBrc1cc(Br)cc(-c2ccc3c(c2)c2c4ccccc4c4ccccc4c2n3-c2ccccc2)c1.Brc1cc(Br)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)c1.Brc1cc(Br)cc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Brc1nc(Br)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)n1
InChIInChI=1S/C33H20Br2N4.C32H19Br2N.C30H19Br2N.C21H12Br2N4/c34-25-17-24(18-26(35)20-25)23-15-16-30-28(19-23)27-13-7-8-14-29(27)39(30)33-37-31(21-9-3-1-4-10-21)36-32(38-33)22-11-5-2-6-12-22;33-22-16-21(17-23(34)19-22)20-14-15-30-29(18-20)31-27-12-6-4-10-25(27)26-11-5-7-13-28(26)32(31)35(30)24-8-2-1-3-9-24;31-24-16-23(17-25(32)19-24)22-12-15-30-28(18-22)27-8-4-5-9-29(27)33(30)26-13-10-21(11-14-26)20-6-2-1-3-7-20;22-20-24-19(25-21(23)26-20)13-10-11-18-16(12-13)15-8-4-5-9-17(15)27(18)14-6-2-1-3-7-14/h1-20H;1-19H;1-19H;1-12H
InChIKeyAPOIWRBGSCWSGI-UHFFFAOYSA-N
MW2243.14 g/mol
LogP35.58
Rot. Bonds11

About 3-(3,5-dibromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;17-(3,5-dibromophenyl)-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-(3,5-dibromophenyl)-9-(4-phenylphenyl)carbazole;3-(4,6-dibromo-1,3,5-triazin-2-yl)-9-phenylcarbazole

3-(3,5-dibromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;17-(3,5-dibromophenyl)-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-(3,5-dibromophenyl)-9-(4-phenylphenyl)carbazole;3-(4,6-dibromo-1,3,5-triazin-2-yl)-9-phenylcarbazole (PubChem CID 157189781) has the molecular formula C116H70Br8N10 and a molecular weight of 2243.14 g/mol. Its IUPAC name is 3-(3,5-dibromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;17-(3,5-dibromophenyl)-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-(3,5-dibromophenyl)-9-(4-phenylphenyl)carbazole;3-(4,6-dibromo-1,3,5-triazin-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(3,5-dibromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;17-(3,5-dibromophenyl)-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-(3,5-dibromophenyl)-9-(4-phenylphenyl)carbazole;3-(4,6-dibromo-1,3,5-triazin-2-yl)-9-phenylcarbazole
PubChem CID157189781
Molecular FormulaC116H70Br8N10
Molecular Weight2243.14 g/mol
Exact Mass2233.93
IUPAC Name3-(3,5-dibromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;17-(3,5-dibromophenyl)-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-(3,5-dibromophenyl)-9-(4-phenylphenyl)carbazole;3-(4,6-dibromo-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESBrc1cc(Br)cc(-c2ccc3c(c2)c2c4ccccc4c4ccccc4c2n3-c2ccccc2)c1.Brc1cc(Br)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)c1.Brc1cc(Br)cc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Brc1nc(Br)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)n1
InChIInChI=1S/C33H20Br2N4.C32H19Br2N.C30H19Br2N.C21H12Br2N4/c34-25-17-24(18-26(35)20-25)23-15-16-30-28(19-23)27-13-7-8-14-29(27)39(30)33-37-31(21-9-3-1-4-10-21)36-32(38-33)22-11-5-2-6-12-22;33-22-16-21(17-23(34)19-22)20-14-15-30-29(18-20)31-27-12-6-4-10-25(27)26-11-5-7-13-28(26)32(31)35(30)24-8-2-1-3-9-24;31-24-16-23(17-25(32)19-24)22-12-15-30-28(18-22)27-8-4-5-9-29(27)33(30)26-13-10-21(11-14-26)20-6-2-1-3-7-20;22-20-24-19(25-21(23)26-20)13-10-11-18-16(12-13)15-8-4-5-9-17(15)27(18)14-6-2-1-3-7-14/h1-20H;1-19H;1-19H;1-12H
InChIKeyAPOIWRBGSCWSGI-UHFFFAOYSA-N
XLogP35.58
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002243.14
LogP ≤ 535.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(3,5-dibromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;17-(3,5-dibromophenyl)-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-(3,5-dibromophenyl)-9-(4-phenylphenyl)carbazole;3-(4,6-dibromo-1,3,5-triazin-2-yl)-9-phenylcarbazole with MolForge

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Related Compounds

1-bromo-4-phenylbenzene;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161278194
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 160782385
3,9-diphenyl-6-[6-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 158716979
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,9-diphenylindolo[3,2-c]carbazole
CID 126628139
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719
2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-9-(4-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,5,9-triphenyl-12-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 165033294
5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
CID 170289111
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156
3-[9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-[4-[3-[4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 155257157
5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162363120
14-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,9-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 155153308

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;17-(3,5-dibromophenyl)-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-(3,5-dibromophenyl)-9-(4-phenylphenyl)carbazole;3-(4,6-dibromo-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The IUPAC name of 3-(3,5-dibromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;17-(3,5-dibromophenyl)-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-(3,5-dibromophenyl)-9-(4-phenylphenyl)carbazole;3-(4,6-dibromo-1,3,5-triazin-2-yl)-9-phenylcarbazole (CID 157189781) is 3-(3,5-dibromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;17-(3,5-dibromophenyl)-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-(3,5-dibromophenyl)-9-(4-phenylphenyl)carbazole;3-(4,6-dibromo-1,3,5-triazin-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(3,5-dibromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;17-(3,5-dibromophenyl)-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-(3,5-dibromophenyl)-9-(4-phenylphenyl)carbazole;3-(4,6-dibromo-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(3,5-dibromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;17-(3,5-dibromophenyl)-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-(3,5-dibromophenyl)-9-(4-phenylphenyl)carbazole;3-(4,6-dibromo-1,3,5-triazin-2-yl)-9-phenylcarbazole is Brc1cc(Br)cc(-c2ccc3c(c2)c2c4ccccc4c4ccccc4c2n3-c2ccccc2)c1.Brc1cc(Br)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)c1.Brc1cc(Br)cc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Brc1nc(Br)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)n1.
What is the InChIKey of 3-(3,5-dibromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;17-(3,5-dibromophenyl)-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-(3,5-dibromophenyl)-9-(4-phenylphenyl)carbazole;3-(4,6-dibromo-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The InChIKey is APOIWRBGSCWSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20Br2N4.C32H19Br2N.C30H19Br2N.C21H12Br2N4/c34-25-17-24(18-26(35)20-25)23-15-16-30-28(19-23)27-13-7-8-14-29(27)39(30)33-37-31(21-9-3-1-4-10-21)36-32(38-33)22-11-5-2-6-12-22;33-22-16-21(17-23(34)19-22)20-14-15-30-29(18-20)31-27-12-6-4-10-25(27)26-11-5-7-13-28(26)32(31)35(30)24-8-2-1-3-9-24;31-24-16-23(17-25(32)19-24)22-12-15-30-28(18-22)27-8-4-5-9-29(27)33(30)26-13-10-21(11-14-26)20-6-2-1-3-7-20;22-20-24-19(25-21(23)26-20)13-10-11-18-16(12-13)15-8-4-5-9-17(15)27(18)14-6-2-1-3-7-14/h1-20H;1-19H;1-19H;1-12H.
What are the key properties of 3-(3,5-dibromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;17-(3,5-dibromophenyl)-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-(3,5-dibromophenyl)-9-(4-phenylphenyl)carbazole;3-(4,6-dibromo-1,3,5-triazin-2-yl)-9-phenylcarbazole?
3-(3,5-dibromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;17-(3,5-dibromophenyl)-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-(3,5-dibromophenyl)-9-(4-phenylphenyl)carbazole;3-(4,6-dibromo-1,3,5-triazin-2-yl)-9-phenylcarbazole has a molecular weight of 2243.14 g/mol, XLogP of 35.58, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibromophenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;17-(3,5-dibromophenyl)-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-(3,5-dibromophenyl)-9-(4-phenylphenyl)carbazole;3-(4,6-dibromo-1,3,5-triazin-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 157189781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).