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

C60H38N8 — CID 146472254

IUPAC9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C60H38N8/c1-5-21-39(22-6-1)55-61-56(40-23-7-2-8-24-40)64-59(63-55)47-37-54(68-51-35-19-15-31-45(51)46-32-16-20-36-52(46)68)48(38-53(47)67-49-33-17-13-29-43(49)44-30-14-18-34-50(44)67)60-65-57(41-25-9-3-10-26-41)62-58(66-60)42-27-11-4-12-28-42/h1-38H
InChIKeyUDQIQKJDQIYMKA-UHFFFAOYSA-N
MW871.02 g/mol
LogP14.25
Rot. Bonds8

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

9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 146472254) has the molecular formula C60H38N8 and a molecular weight of 871.02 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID146472254
Molecular FormulaC60H38N8
Molecular Weight871.02 g/mol
Exact Mass870.32
IUPAC Name9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C60H38N8/c1-5-21-39(22-6-1)55-61-56(40-23-7-2-8-24-40)64-59(63-55)47-37-54(68-51-35-19-15-31-45(51)46-32-16-20-36-52(46)68)48(38-53(47)67-49-33-17-13-29-43(49)44-30-14-18-34-50(44)67)60-65-57(41-25-9-3-10-26-41)62-58(66-60)42-27-11-4-12-28-42/h1-38H
InChIKeyUDQIQKJDQIYMKA-UHFFFAOYSA-N
XLogP14.25
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.02
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9-[5-carbazol-9-yl-2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 135131262
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903092
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
CID 174101045
CID 174101045
boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158893462
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 170111574
9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 146512114
2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134321066
9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-phenylnaphthalen-2-yl]carbazole
CID 170658621
9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 139303113
9-[5-phenyl-2-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658891

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 146472254) is 9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is UDQIQKJDQIYMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N8/c1-5-21-39(22-6-1)55-61-56(40-23-7-2-8-24-40)64-59(63-55)47-37-54(68-51-35-19-15-31-45(51)46-32-16-20-36-52(46)68)48(38-53(47)67-49-33-17-13-29-43(49)44-30-14-18-34-50(44)67)60-65-57(41-25-9-3-10-26-41)62-58(66-60)42-27-11-4-12-28-42/h1-38H.
What are the key properties of 9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 871.02 g/mol, XLogP of 14.25, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 146472254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).