3-bromo-6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole

C45H27BrN4O — CID 155649676

IUPAC3-bromo-6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
SMILESBrc1ccc2c(c1)c1cc(-c3ccc4oc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C45H27BrN4O/c46-33-19-21-40-36(27-33)35-24-30(16-20-39(35)50(40)34-14-8-3-9-15-34)31-17-22-41-37(25-31)38-26-32(18-23-42(38)51-41)45-48-43(28-10-4-1-5-11-28)47-44(49-45)29-12-6-2-7-13-29/h1-27H
InChIKeyUOIZSGYIGJSSHA-UHFFFAOYSA-N
MW719.64 g/mol
LogP12.30
Rot. Bonds5

About 3-bromo-6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole

3-bromo-6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 155649676) has the molecular formula C45H27BrN4O and a molecular weight of 719.64 g/mol. Its IUPAC name is 3-bromo-6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-bromo-6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
PubChem CID155649676
Molecular FormulaC45H27BrN4O
Molecular Weight719.64 g/mol
Exact Mass718.14
IUPAC Name3-bromo-6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
SMILESBrc1ccc2c(c1)c1cc(-c3ccc4oc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C45H27BrN4O/c46-33-19-21-40-36(27-33)35-24-30(16-20-39(35)50(40)34-14-8-3-9-15-34)31-17-22-41-37(25-31)38-26-32(18-23-42(38)51-41)45-48-43(28-10-4-1-5-11-28)47-44(49-45)29-12-6-2-7-13-29/h1-27H
InChIKeyUOIZSGYIGJSSHA-UHFFFAOYSA-N
XLogP12.30
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.64
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[8-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 159222480
3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 158642418
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149414
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 166009395
7-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 163573968
3-[16-(2,6-diphenylpyrimidin-4-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole
CID 67952805
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 90211475
2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene
CID 142293061
3-dibenzofuran-2-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 159859933
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342775
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163842571
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole
CID 88866650

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-bromo-6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole (CID 155649676) is 3-bromo-6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-bromo-6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-bromo-6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole is Brc1ccc2c(c1)c1cc(-c3ccc4oc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c4c3)ccc1n2-c1ccccc1.
What is the InChIKey of 3-bromo-6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
The InChIKey is UOIZSGYIGJSSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27BrN4O/c46-33-19-21-40-36(27-33)35-24-30(16-20-39(35)50(40)34-14-8-3-9-15-34)31-17-22-41-37(25-31)38-26-32(18-23-42(38)51-41)45-48-43(28-10-4-1-5-11-28)47-44(49-45)29-12-6-2-7-13-29/h1-27H.
What are the key properties of 3-bromo-6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
3-bromo-6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 719.64 g/mol, XLogP of 12.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 155649676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).