9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole

C63H41N5 — CID 138599572

IUPAC9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C63H41N5/c1-6-19-42(20-7-1)46-33-36-57-53(39-46)54-40-47(43-21-8-2-9-22-43)34-37-58(54)68(57)59-38-35-48(50-30-18-31-52-51-29-16-17-32-56(51)67(60(50)52)49-27-14-5-15-28-49)41-55(59)63-65-61(44-23-10-3-11-24-44)64-62(66-63)45-25-12-4-13-26-45/h1-41H
InChIKeyMYSGNDYEDAHTIS-UHFFFAOYSA-N
MW868.06 g/mol
LogP16.07
Rot. Bonds8

About 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole (PubChem CID 138599572) has the molecular formula C63H41N5 and a molecular weight of 868.06 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole
PubChem CID138599572
Molecular FormulaC63H41N5
Molecular Weight868.06 g/mol
Exact Mass867.34
IUPAC Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C63H41N5/c1-6-19-42(20-7-1)46-33-36-57-53(39-46)54-40-47(43-21-8-2-9-22-43)34-37-58(54)68(57)59-38-35-48(50-30-18-31-52-51-29-16-17-32-56(51)67(60(50)52)49-27-14-5-15-28-49)41-55(59)63-65-61(44-23-10-3-11-24-44)64-62(66-63)45-25-12-4-13-26-45/h1-41H
InChIKeyMYSGNDYEDAHTIS-UHFFFAOYSA-N
XLogP16.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.06
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 155628027
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155233044
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
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155232535
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 149424415
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanocarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155628228
3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 155232340
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 162500631
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155232537
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(3-phenylcarbazol-9-yl)carbazole
CID 121382492
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
1-[3-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149319

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole (CID 138599572) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole?
The InChIKey is MYSGNDYEDAHTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5/c1-6-19-42(20-7-1)46-33-36-57-53(39-46)54-40-47(43-21-8-2-9-22-43)34-37-58(54)68(57)59-38-35-48(50-30-18-31-52-51-29-16-17-32-56(51)67(60(50)52)49-27-14-5-15-28-49)41-55(59)63-65-61(44-23-10-3-11-24-44)64-62(66-63)45-25-12-4-13-26-45/h1-41H.
What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole?
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole has a molecular weight of 868.06 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 138599572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).