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

C50H32N6 — CID 118487847

IUPAC3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-pyridin-4-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccncc6)cc5)ccc43)n2)cc1
InChIInChI=1S/C50H32N6/c1-3-11-35(12-4-1)48-52-49(36-13-5-2-6-14-36)54-50(53-48)56-45-18-10-8-16-41(45)43-32-38(24-26-47(43)56)34-21-19-33(20-22-34)37-23-25-46-42(31-37)40-15-7-9-17-44(40)55(46)39-27-29-51-30-28-39/h1-32H
InChIKeyGALHLROBGGAVJX-UHFFFAOYSA-N
MW716.85 g/mol
LogP12.13
Rot. Bonds6

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

3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-pyridin-4-ylcarbazole (PubChem CID 118487847) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-pyridin-4-ylcarbazole.

Molecular Properties

Compound Name3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-pyridin-4-ylcarbazole
PubChem CID118487847
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-pyridin-4-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccncc6)cc5)ccc43)n2)cc1
InChIInChI=1S/C50H32N6/c1-3-11-35(12-4-1)48-52-49(36-13-5-2-6-14-36)54-50(53-48)56-45-18-10-8-16-41(45)43-32-38(24-26-47(43)56)34-21-19-33(20-22-34)37-23-25-46-42(31-37)40-15-7-9-17-44(40)55(46)39-27-29-51-30-28-39/h1-32H
InChIKeyGALHLROBGGAVJX-UHFFFAOYSA-N
XLogP12.13
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.85
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-carbazol-9-yl-6-[4-(6-carbazol-9-yl-9-pyridin-4-ylcarbazol-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-pyridin-4-ylcarbazole
CID 139317575
9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 118698991
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118699027
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 58556490
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole
CID 88866650
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 58556534
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757

Frequently Asked Questions

What is the IUPAC name of 3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-pyridin-4-ylcarbazole?
The IUPAC name of 3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-pyridin-4-ylcarbazole (CID 118487847) is 3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-pyridin-4-ylcarbazole.
What is the SMILES notation for 3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-pyridin-4-ylcarbazole?
The canonical SMILES for 3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-pyridin-4-ylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccncc6)cc5)ccc43)n2)cc1.
What is the InChIKey of 3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-pyridin-4-ylcarbazole?
The InChIKey is GALHLROBGGAVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-3-11-35(12-4-1)48-52-49(36-13-5-2-6-14-36)54-50(53-48)56-45-18-10-8-16-41(45)43-32-38(24-26-47(43)56)34-21-19-33(20-22-34)37-23-25-46-42(31-37)40-15-7-9-17-44(40)55(46)39-27-29-51-30-28-39/h1-32H.
What are the key properties of 3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-pyridin-4-ylcarbazole?
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-pyridin-4-ylcarbazole has a molecular weight of 716.85 g/mol, XLogP of 12.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-pyridin-4-ylcarbazole is sourced from PubChem (CID 118487847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).