9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

C45H28BrN5 — CID 141480105

IUPAC9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESBrc1cccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)c1
InChIInChI=1S/C45H28BrN5/c46-32-15-9-12-29(26-32)43-47-44(30-13-10-16-33(27-30)50-39-22-5-1-18-35(39)36-19-2-6-23-40(36)50)49-45(48-43)31-14-11-17-34(28-31)51-41-24-7-3-20-37(41)38-21-4-8-25-42(38)51/h1-28H
InChIKeySUYHNYMIOZWQKM-UHFFFAOYSA-N
MW718.66 g/mol
LogP11.83
Rot. Bonds5

About 9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 141480105) has the molecular formula C45H28BrN5 and a molecular weight of 718.66 g/mol. Its IUPAC name is 9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID141480105
Molecular FormulaC45H28BrN5
Molecular Weight718.66 g/mol
Exact Mass717.15
IUPAC Name9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESBrc1cccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)c1
InChIInChI=1S/C45H28BrN5/c46-32-15-9-12-29(26-32)43-47-44(30-13-10-16-33(27-30)50-39-22-5-1-18-35(39)36-19-2-6-23-40(36)50)49-45(48-43)31-14-11-17-34(28-31)51-41-24-7-3-20-37(41)38-21-4-8-25-42(38)51/h1-28H
InChIKeySUYHNYMIOZWQKM-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

9-[3-[2-(3-bromophenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632895
9-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901354
9-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 165051393
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818
2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179701
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 121385500
9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 177124510
3-bromo-9-[3-[4-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 175101283
9-[3-(4-phenylphenyl)phenyl]-2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087271
3-[3-(3-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118462638

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 141480105) is 9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is Brc1cccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)c1.
What is the InChIKey of 9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is SUYHNYMIOZWQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28BrN5/c46-32-15-9-12-29(26-32)43-47-44(30-13-10-16-33(27-30)50-39-22-5-1-18-35(39)36-19-2-6-23-40(36)50)49-45(48-43)31-14-11-17-34(28-31)51-41-24-7-3-20-37(41)38-21-4-8-25-42(38)51/h1-28H.
What are the key properties of 9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]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 9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 141480105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).