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

C63H42N4 — CID 155087253

IUPAC6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccc(-c6ccc(-c7ccccc7)cc6)cc5c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc54)cc3)cc2)cc1
InChIInChI=1S/C63H42N4/c1-5-13-43(14-6-1)46-21-23-49(24-22-46)50-33-37-56(38-34-50)67-59-40-36-54(51-27-25-47(26-28-51)44-15-7-2-8-16-44)41-58(59)57-39-35-55(42-60(57)67)63-65-61(52-19-11-4-12-20-52)64-62(66-63)53-31-29-48(30-32-53)45-17-9-3-10-18-45/h1-42H
InChIKeyHKZQTWQTOUQHBO-UHFFFAOYSA-N
MW855.06 g/mol
LogP16.30
Rot. Bonds9

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

6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 155087253) has the molecular formula C63H42N4 and a molecular weight of 855.06 g/mol. Its IUPAC name is 6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID155087253
Molecular FormulaC63H42N4
Molecular Weight855.06 g/mol
Exact Mass854.34
IUPAC Name6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccc(-c6ccc(-c7ccccc7)cc6)cc5c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc54)cc3)cc2)cc1
InChIInChI=1S/C63H42N4/c1-5-13-43(14-6-1)46-21-23-49(24-22-46)50-33-37-56(38-34-50)67-59-40-36-54(51-27-25-47(26-28-51)44-15-7-2-8-16-44)41-58(59)57-39-35-55(42-60(57)67)63-65-61(52-19-11-4-12-20-52)64-62(66-63)53-31-29-48(30-32-53)45-17-9-3-10-18-45/h1-42H
InChIKeyHKZQTWQTOUQHBO-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

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878713
2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087454
3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 134236862
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 142377805
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 88878761
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole
CID 126580254
3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 71287167
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167
2-[9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160933001
3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 160597833

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 155087253) is 6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc(-c3ccc(-n4c5ccc(-c6ccc(-c7ccccc7)cc6)cc5c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc54)cc3)cc2)cc1.
What is the InChIKey of 6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is HKZQTWQTOUQHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4/c1-5-13-43(14-6-1)46-21-23-49(24-22-46)50-33-37-56(38-34-50)67-59-40-36-54(51-27-25-47(26-28-51)44-15-7-2-8-16-44)41-58(59)57-39-35-55(42-60(57)67)63-65-61(52-19-11-4-12-20-52)64-62(66-63)53-31-29-48(30-32-53)45-17-9-3-10-18-45/h1-42H.
What are the key properties of 6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole 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 6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 155087253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).