5-bromo-11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

C45H28BrN5 — CID 170255683

IUPAC5-bromo-11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESBrc1cc2c3ccccc3n(-c3ccccc3)c2c2c1c1ccccc1n2-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C45H28BrN5/c46-37-28-36-34-20-10-12-22-38(34)50(33-18-8-3-9-19-33)41(36)42-40(37)35-21-11-13-23-39(35)51(42)45-48-43(31-16-6-2-7-17-31)47-44(49-45)32-26-24-30(25-27-32)29-14-4-1-5-15-29/h1-28H
InChIKeyVIIXZOIDXHCFDA-UHFFFAOYSA-N
MW718.66 g/mol
LogP11.83
Rot. Bonds5

About 5-bromo-11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

5-bromo-11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 170255683) has the molecular formula C45H28BrN5 and a molecular weight of 718.66 g/mol. Its IUPAC name is 5-bromo-11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name5-bromo-11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
PubChem CID170255683
Molecular FormulaC45H28BrN5
Molecular Weight718.66 g/mol
Exact Mass717.15
IUPAC Name5-bromo-11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESBrc1cc2c3ccccc3n(-c3ccccc3)c2c2c1c1ccccc1n2-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C45H28BrN5/c46-37-28-36-34-20-10-12-22-38(34)50(33-18-8-3-9-19-33)41(36)42-40(37)35-21-11-13-23-39(35)51(42)45-48-43(31-16-6-2-7-17-31)47-44(49-45)32-26-24-30(25-27-32)29-14-4-1-5-15-29/h1-28H
InChIKeyVIIXZOIDXHCFDA-UHFFFAOYSA-N
XLogP11.83
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.66
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 170255379
5,11-diphenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255259
5-carbazol-9-yl-12-(3-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729219
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
5-carbazol-9-yl-11-(4-phenylphenyl)-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729290
5-carbazol-9-yl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729596
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,21-diphenyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 58142309
5-phenyl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255377
5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255408
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 58142333
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 161432881
12-carbazol-9-yl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 168729598

Frequently Asked Questions

What is the IUPAC name of 5-bromo-11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 5-bromo-11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 170255683) is 5-bromo-11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 5-bromo-11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 5-bromo-11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is Brc1cc2c3ccccc3n(-c3ccccc3)c2c2c1c1ccccc1n2-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 5-bromo-11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The InChIKey is VIIXZOIDXHCFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28BrN5/c46-37-28-36-34-20-10-12-22-38(34)50(33-18-8-3-9-19-33)41(36)42-40(37)35-21-11-13-23-39(35)51(42)45-48-43(31-16-6-2-7-17-31)47-44(49-45)32-26-24-30(25-27-32)29-14-4-1-5-15-29/h1-28H.
What are the key properties of 5-bromo-11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
5-bromo-11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 718.66 g/mol, XLogP of 11.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 170255683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).