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

C63H41N5 — CID 170097372

IUPAC4-carbazol-9-yl-9-[3-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)c4)n3)cc2)cc1
InChIInChI=1S/C63H41N5/c1-4-18-42(19-5-1)45-34-36-46(37-35-45)61-64-62(48-25-16-24-47(38-48)43-20-6-2-7-21-43)66-63(65-61)50-39-49(44-22-8-3-9-23-44)40-51(41-50)67-57-31-15-12-28-54(57)60-58(67)32-17-33-59(60)68-55-29-13-10-26-52(55)53-27-11-14-30-56(53)68/h1-41H
InChIKeyFWSFINFEXXSSLZ-UHFFFAOYSA-N
MW868.06 g/mol
LogP16.07
Rot. Bonds8

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

4-carbazol-9-yl-9-[3-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 170097372) has the molecular formula C63H41N5 and a molecular weight of 868.06 g/mol. Its IUPAC name is 4-carbazol-9-yl-9-[3-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name4-carbazol-9-yl-9-[3-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID170097372
Molecular FormulaC63H41N5
Molecular Weight868.06 g/mol
Exact Mass867.34
IUPAC Name4-carbazol-9-yl-9-[3-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)c4)n3)cc2)cc1
InChIInChI=1S/C63H41N5/c1-4-18-42(19-5-1)45-34-36-46(37-35-45)61-64-62(48-25-16-24-47(38-48)43-20-6-2-7-21-43)66-63(65-61)50-39-49(44-22-8-3-9-23-44)40-51(41-50)67-57-31-15-12-28-54(57)60-58(67)32-17-33-59(60)68-55-29-13-10-26-52(55)53-27-11-14-30-56(53)68/h1-41H
InChIKeyFWSFINFEXXSSLZ-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

4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659856
9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole
CID 139303922
9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 163436975
9-[3-carbazol-9-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 58943250
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818
9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 158533687
4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032359
3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659651
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122598828
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)carbazole
CID 150934071
2-[3-(4-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 174273630

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-9-[3-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 4-carbazol-9-yl-9-[3-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 170097372) is 4-carbazol-9-yl-9-[3-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 4-carbazol-9-yl-9-[3-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 4-carbazol-9-yl-9-[3-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)c4)n3)cc2)cc1.
What is the InChIKey of 4-carbazol-9-yl-9-[3-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is FWSFINFEXXSSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5/c1-4-18-42(19-5-1)45-34-36-46(37-35-45)61-64-62(48-25-16-24-47(38-48)43-20-6-2-7-21-43)66-63(65-61)50-39-49(44-22-8-3-9-23-44)40-51(41-50)67-57-31-15-12-28-54(57)60-58(67)32-17-33-59(60)68-55-29-13-10-26-52(55)53-27-11-14-30-56(53)68/h1-41H.
What are the key properties of 4-carbazol-9-yl-9-[3-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
4-carbazol-9-yl-9-[3-phenyl-5-[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 4-carbazol-9-yl-9-[3-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 170097372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).