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

C60H39N7 — CID 146648753

IUPAC4-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccccc5)c5c4c4ccccc4n5-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C60H39N7/c1-7-21-40(22-8-1)47-37-38-49(53-50-33-19-20-34-52(50)67(54(47)53)46-31-17-6-18-32-46)48-36-35-45(59-63-55(41-23-9-2-10-24-41)61-56(64-59)42-25-11-3-12-26-42)39-51(48)60-65-57(43-27-13-4-14-28-43)62-58(66-60)44-29-15-5-16-30-44/h1-39H
InChIKeyJJHDDJQKDDMAPE-UHFFFAOYSA-N
MW858.02 g/mol
LogP14.49
Rot. Bonds9

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

4-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole (PubChem CID 146648753) has the molecular formula C60H39N7 and a molecular weight of 858.02 g/mol. Its IUPAC name is 4-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole.

Molecular Properties

Compound Name4-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
PubChem CID146648753
Molecular FormulaC60H39N7
Molecular Weight858.02 g/mol
Exact Mass857.33
IUPAC Name4-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccccc5)c5c4c4ccccc4n5-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C60H39N7/c1-7-21-40(22-8-1)47-37-38-49(53-50-33-19-20-34-52(50)67(54(47)53)46-31-17-6-18-32-46)48-36-35-45(59-63-55(41-23-9-2-10-24-41)61-56(64-59)42-25-11-3-12-26-42)39-51(48)60-65-57(43-27-13-4-14-28-43)62-58(66-60)44-29-15-5-16-30-44/h1-39H
InChIKeyJJHDDJQKDDMAPE-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

1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole
CID 134598241
3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 146648747
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole
CID 126628134
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,18,27-triphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,21,23,25-dodecaene
CID 163546560
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,6-diphenylindolo[3,2-c]carbazole
CID 129141720
1-[4-(3,4-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 153460080
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227760
5,11-diphenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255259
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118502129
1-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 153459573
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 170255379
9,18,27-tris[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227811

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole?
The IUPAC name of 4-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole (CID 146648753) is 4-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole.
What is the SMILES notation for 4-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole?
The canonical SMILES for 4-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccccc5)c5c4c4ccccc4n5-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1.
What is the InChIKey of 4-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole?
The InChIKey is JJHDDJQKDDMAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N7/c1-7-21-40(22-8-1)47-37-38-49(53-50-33-19-20-34-52(50)67(54(47)53)46-31-17-6-18-32-46)48-36-35-45(59-63-55(41-23-9-2-10-24-41)61-56(64-59)42-25-11-3-12-26-42)39-51(48)60-65-57(43-27-13-4-14-28-43)62-58(66-60)44-29-15-5-16-30-44/h1-39H.
What are the key properties of 4-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole?
4-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-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 4-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole is sourced from PubChem (CID 146648753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).