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

C60H39N7 — CID 146648749

IUPAC3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C60H39N7/c1-7-19-40(20-8-1)45-32-35-53-50(37-45)51-38-46(33-36-54(51)67(53)48-29-17-6-18-30-48)49-34-31-47(59-63-55(41-21-9-2-10-22-41)61-56(64-59)42-23-11-3-12-24-42)39-52(49)60-65-57(43-25-13-4-14-26-43)62-58(66-60)44-27-15-5-16-28-44/h1-39H
InChIKeySZXWXBPLEOZPMV-UHFFFAOYSA-N
MW858.02 g/mol
LogP14.49
Rot. Bonds9

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

3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole (PubChem CID 146648749) has the molecular formula C60H39N7 and a molecular weight of 858.02 g/mol. Its IUPAC name is 3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole.

Molecular Properties

Compound Name3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole
PubChem CID146648749
Molecular FormulaC60H39N7
Molecular Weight858.02 g/mol
Exact Mass857.33
IUPAC Name3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C60H39N7/c1-7-19-40(20-8-1)45-32-35-53-50(37-45)51-38-46(33-36-54(51)67(53)48-29-17-6-18-30-48)49-34-31-47(59-63-55(41-21-9-2-10-22-41)61-56(64-59)42-23-11-3-12-24-42)39-52(49)60-65-57(43-25-13-4-14-26-43)62-58(66-60)44-27-15-5-16-28-44/h1-39H
InChIKeySZXWXBPLEOZPMV-UHFFFAOYSA-N
XLogP14.49
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.02
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[9-[4-[4-(2,5-diphenylphenyl)-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134236859
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole
CID 88866650
9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 162500533
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 171402410
3,6-diphenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153302022
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(9-phenylcarbazol-3-yl)carbazole
CID 121422470
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90308422
3-[2-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 139533350
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole
CID 177079103
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]-9-phenylcarbazole
CID 177079188
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6,9-triphenylcarbazole
CID 118299164

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole?
The IUPAC name of 3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole (CID 146648749) is 3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole.
What is the SMILES notation for 3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole?
The canonical SMILES for 3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole?
The InChIKey is SZXWXBPLEOZPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N7/c1-7-19-40(20-8-1)45-32-35-53-50(37-45)51-38-46(33-36-54(51)67(53)48-29-17-6-18-30-48)49-34-31-47(59-63-55(41-21-9-2-10-22-41)61-56(64-59)42-23-11-3-12-24-42)39-52(49)60-65-57(43-25-13-4-14-26-43)62-58(66-60)44-27-15-5-16-28-44/h1-39H.
What are the key properties of 3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole?
3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole has a molecular weight of 858.02 g/mol, XLogP of 14.49, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole is sourced from PubChem (CID 146648749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).