9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole

C53H36N10 — CID 167168647

IUPAC9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
SMILESCc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)n1
InChIInChI=1S/C53H36N10/c1-33-54-34(2)56-51(55-33)39-30-31-45-43(32-39)40-26-15-16-29-44(40)63(45)46-41(52-59-47(35-18-7-3-8-19-35)57-48(60-52)36-20-9-4-10-21-36)27-17-28-42(46)53-61-49(37-22-11-5-12-23-37)58-50(62-53)38-24-13-6-14-25-38/h3-32H,1-2H3
InChIKeyDWZYEHSYBOIJBK-UHFFFAOYSA-N
MW812.94 g/mol
LogP11.62
Rot. Bonds8

About 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole

9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 167168647) has the molecular formula C53H36N10 and a molecular weight of 812.94 g/mol. Its IUPAC name is 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
PubChem CID167168647
Molecular FormulaC53H36N10
Molecular Weight812.94 g/mol
Exact Mass812.31
IUPAC Name9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
SMILESCc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)n1
InChIInChI=1S/C53H36N10/c1-33-54-34(2)56-51(55-33)39-30-31-45-43(32-39)40-26-15-16-29-44(40)63(45)46-41(52-59-47(35-18-7-3-8-19-35)57-48(60-52)36-20-9-4-10-21-36)27-17-28-42(46)53-61-49(37-22-11-5-12-23-37)58-50(62-53)38-24-13-6-14-25-38/h3-32H,1-2H3
InChIKeyDWZYEHSYBOIJBK-UHFFFAOYSA-N
XLogP11.62
TPSA120.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.94
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 162115065
3-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 142577035
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole
CID 167168633
9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 176837753
3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole
CID 138606121
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 155232297
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 137414472
9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121401452
5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 168835045
3-dibenzothiophen-2-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 165030110
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155462556
3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 162203565

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole (CID 167168647) is 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole is Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)n1.
What is the InChIKey of 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is DWZYEHSYBOIJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N10/c1-33-54-34(2)56-51(55-33)39-30-31-45-43(32-39)40-26-15-16-29-44(40)63(45)46-41(52-59-47(35-18-7-3-8-19-35)57-48(60-52)36-20-9-4-10-21-36)27-17-28-42(46)53-61-49(37-22-11-5-12-23-37)58-50(62-53)38-24-13-6-14-25-38/h3-32H,1-2H3.
What are the key properties of 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 812.94 g/mol, XLogP of 11.62, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 167168647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).