3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole

C63H42N4 — CID 177079103

IUPAC3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C63H42N4/c1-6-18-43(19-7-1)46-30-34-49(35-31-46)61-64-62(50-36-32-47(33-37-50)44-20-8-2-9-21-44)66-63(65-61)57-42-52(45-22-10-3-11-23-45)41-55(60(57)48-24-12-4-13-25-48)51-38-39-59-56(40-51)54-28-16-17-29-58(54)67(59)53-26-14-5-15-27-53/h1-42H
InChIKeyOMTPLZTUCIOSHC-UHFFFAOYSA-N
MW855.06 g/mol
LogP16.30
Rot. Bonds9

About 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole

3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole (PubChem CID 177079103) has the molecular formula C63H42N4 and a molecular weight of 855.06 g/mol. Its IUPAC name is 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole
PubChem CID177079103
Molecular FormulaC63H42N4
Molecular Weight855.06 g/mol
Exact Mass854.34
IUPAC Name3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C63H42N4/c1-6-18-43(19-7-1)46-30-34-49(35-31-46)61-64-62(50-36-32-47(33-37-50)44-20-8-2-9-21-44)66-63(65-61)57-42-52(45-22-10-3-11-23-45)41-55(60(57)48-24-12-4-13-25-48)51-38-39-59-56(40-51)54-28-16-17-29-58(54)67(59)53-26-14-5-15-27-53/h1-42H
InChIKeyOMTPLZTUCIOSHC-UHFFFAOYSA-N
XLogP16.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.06
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]-9-phenylcarbazole
CID 177079188
3-[3-(2,6-diphenylpyrimidin-4-yl)-2,5-diphenylphenyl]-9-phenylcarbazole
CID 177079032
3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 177079001
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(9-phenylcarbazol-3-yl)carbazole
CID 121422470
3-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylphenyl]-9-phenylcarbazole;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-9-phenylcarbazole
CID 161044793
3-[9-[4-[4-(2,5-diphenylphenyl)-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134236859
3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole
CID 146648749
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 171402410
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
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-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole
CID 164843390

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole (CID 177079103) is 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole?
The InChIKey is OMTPLZTUCIOSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4/c1-6-18-43(19-7-1)46-30-34-49(35-31-46)61-64-62(50-36-32-47(33-37-50)44-20-8-2-9-21-44)66-63(65-61)57-42-52(45-22-10-3-11-23-45)41-55(60(57)48-24-12-4-13-25-48)51-38-39-59-56(40-51)54-28-16-17-29-58(54)67(59)53-26-14-5-15-27-53/h1-42H.
What are the key properties of 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole?
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole has a molecular weight of 855.06 g/mol, XLogP of 16.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole is sourced from PubChem (CID 177079103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).