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

C54H32N10 — CID 149013970

IUPAC9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1nc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C54H32N10/c1-9-25-41-33(17-1)34-18-2-10-26-42(34)61(41)51-55-49(56-52(59-51)62-43-27-11-3-19-35(43)36-20-4-12-28-44(36)62)50-57-53(63-45-29-13-5-21-37(45)38-22-6-14-30-46(38)63)60-54(58-50)64-47-31-15-7-23-39(47)40-24-8-16-32-48(40)64/h1-32H
InChIKeyQCEJOSVTTCCUAS-UHFFFAOYSA-N
MW820.92 g/mol
LogP12.11
Rot. Bonds5

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

9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 149013970) has the molecular formula C54H32N10 and a molecular weight of 820.92 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
PubChem CID149013970
Molecular FormulaC54H32N10
Molecular Weight820.92 g/mol
Exact Mass820.28
IUPAC Name9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1nc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C54H32N10/c1-9-25-41-33(17-1)34-18-2-10-26-42(34)61(41)51-55-49(56-52(59-51)62-43-27-11-3-19-35(43)36-20-4-12-28-44(36)62)50-57-53(63-45-29-13-5-21-37(45)38-22-6-14-30-46(38)63)60-54(58-50)64-47-31-15-7-23-39(47)40-24-8-16-32-48(40)64/h1-32H
InChIKeyQCEJOSVTTCCUAS-UHFFFAOYSA-N
XLogP12.11
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.92
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 59194526
9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole
CID 155367112
9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742634
9-[4-carbazol-9-yl-6-[4-[3-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 58943291
9-[4-carbazol-9-yl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742447
9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole
CID 165047384
9-[4-carbazol-9-yl-6-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742666
9-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 152880708
9-[4-(4-chlorophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155445890
[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-triphenylgermane
CID 170681730
9-[4-carbazol-9-yl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742616
9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 176831267

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole (CID 149013970) is 9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1nc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)nc(-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is QCEJOSVTTCCUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N10/c1-9-25-41-33(17-1)34-18-2-10-26-42(34)61(41)51-55-49(56-52(59-51)62-43-27-11-3-19-35(43)36-20-4-12-28-44(36)62)50-57-53(63-45-29-13-5-21-37(45)38-22-6-14-30-46(38)63)60-54(58-50)64-47-31-15-7-23-39(47)40-24-8-16-32-48(40)64/h1-32H.
What are the key properties of 9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole?
9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 820.92 g/mol, XLogP of 12.11, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 149013970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).