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

C63H41N5 — CID 170097695

IUPAC1-carbazol-9-yl-9-[4-phenyl-3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-n5c6ccccc6c6cccc(-n7c8ccccc8c8ccccc87)c65)ccc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C63H41N5/c1-4-18-42(19-5-1)44-34-36-46(37-35-44)61-64-62(48-25-16-24-47(40-48)43-20-6-2-7-21-43)66-63(65-61)55-41-49(38-39-50(55)45-22-8-3-9-23-45)67-56-30-13-12-28-53(56)54-29-17-33-59(60(54)67)68-57-31-14-10-26-51(57)52-27-11-15-32-58(52)68/h1-41H
InChIKeyNWTNQTFRHVAPKH-UHFFFAOYSA-N
MW868.06 g/mol
LogP16.07
Rot. Bonds8

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

1-carbazol-9-yl-9-[4-phenyl-3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 170097695) has the molecular formula C63H41N5 and a molecular weight of 868.06 g/mol. Its IUPAC name is 1-carbazol-9-yl-9-[4-phenyl-3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name1-carbazol-9-yl-9-[4-phenyl-3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID170097695
Molecular FormulaC63H41N5
Molecular Weight868.06 g/mol
Exact Mass867.34
IUPAC Name1-carbazol-9-yl-9-[4-phenyl-3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-n5c6ccccc6c6cccc(-n7c8ccccc8c8ccccc87)c65)ccc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C63H41N5/c1-4-18-42(19-5-1)44-34-36-46(37-35-44)61-64-62(48-25-16-24-47(40-48)43-20-6-2-7-21-43)66-63(65-61)55-41-49(38-39-50(55)45-22-8-3-9-23-45)67-56-30-13-12-28-53(56)54-29-17-33-59(60(54)67)68-57-31-14-10-26-51(57)52-27-11-15-32-58(52)68/h1-41H
InChIKeyNWTNQTFRHVAPKH-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

1-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 170096979
2-carbazol-9-yl-9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170096976
9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658510
1-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121459383
5-carbazol-9-yl-2-phenyl-9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170097918
9-[2-(3-phenylphenyl)-5-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659178
9-[3-[4-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 139303393
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[1-(3-phenylphenyl)carbazol-9-yl]carbazole
CID 176870647
9-naphthalen-2-yl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
CID 168807697
9-[5-[4-[3-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 139303416
1-[3-[4-phenanthren-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 168807754
9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 168801599

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-9-[4-phenyl-3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 1-carbazol-9-yl-9-[4-phenyl-3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 170097695) is 1-carbazol-9-yl-9-[4-phenyl-3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 1-carbazol-9-yl-9-[4-phenyl-3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 1-carbazol-9-yl-9-[4-phenyl-3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-n5c6ccccc6c6cccc(-n7c8ccccc8c8ccccc87)c65)ccc4-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 1-carbazol-9-yl-9-[4-phenyl-3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is NWTNQTFRHVAPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5/c1-4-18-42(19-5-1)44-34-36-46(37-35-44)61-64-62(48-25-16-24-47(40-48)43-20-6-2-7-21-43)66-63(65-61)55-41-49(38-39-50(55)45-22-8-3-9-23-45)67-56-30-13-12-28-53(56)54-29-17-33-59(60(54)67)68-57-31-14-10-26-51(57)52-27-11-15-32-58(52)68/h1-41H.
What are the key properties of 1-carbazol-9-yl-9-[4-phenyl-3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
1-carbazol-9-yl-9-[4-phenyl-3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole 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 1-carbazol-9-yl-9-[4-phenyl-3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 170097695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).