2,3-diphenyl-6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole

C51H32N6S — CID 118229645

IUPAC2,3-diphenyl-6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole
SMILESc1ccc(-c2sc3c(ccc4c3c3ccccc3n4-c3ccc(-c4nc(-c5ccncc5)nc(-c5ccc(-c6ccncc6)cc5)n4)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C51H32N6S/c1-3-9-35(10-4-1)45-42-23-24-44-46(48(42)58-47(45)36-11-5-2-6-12-36)41-13-7-8-14-43(41)57(44)40-21-19-38(20-22-40)50-54-49(55-51(56-50)39-27-31-53-32-28-39)37-17-15-33(16-18-37)34-25-29-52-30-26-34/h1-32H
InChIKeyUDDVNKFVCCQPRV-UHFFFAOYSA-N
MW760.93 g/mol
LogP12.98
Rot. Bonds7

About 2,3-diphenyl-6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole

2,3-diphenyl-6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole (PubChem CID 118229645) has the molecular formula C51H32N6S and a molecular weight of 760.93 g/mol. Its IUPAC name is 2,3-diphenyl-6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole.

Molecular Properties

Compound Name2,3-diphenyl-6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole
PubChem CID118229645
Molecular FormulaC51H32N6S
Molecular Weight760.93 g/mol
Exact Mass760.24
IUPAC Name2,3-diphenyl-6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole
SMILESc1ccc(-c2sc3c(ccc4c3c3ccccc3n4-c3ccc(-c4nc(-c5ccncc5)nc(-c5ccc(-c6ccncc6)cc5)n4)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C51H32N6S/c1-3-9-35(10-4-1)45-42-23-24-44-46(48(42)58-47(45)36-11-5-2-6-12-36)41-13-7-8-14-43(41)57(44)40-21-19-38(20-22-40)50-54-49(55-51(56-50)39-27-31-53-32-28-39)37-17-15-33(16-18-37)34-25-29-52-30-26-34/h1-32H
InChIKeyUDDVNKFVCCQPRV-UHFFFAOYSA-N
XLogP12.98
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.93
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118229648
6-[4-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118228260
6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole
CID 118227971
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-pyridin-4-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 121400472
6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118229475
9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole
CID 164843390
6-dibenzothiophen-2-yl-2,3-diphenylthieno[3,2-c]carbazole
CID 118228202
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
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937273
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160
6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole
CID 118229476
6-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118229504

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole?
The IUPAC name of 2,3-diphenyl-6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole (CID 118229645) is 2,3-diphenyl-6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole.
What is the SMILES notation for 2,3-diphenyl-6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole?
The canonical SMILES for 2,3-diphenyl-6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole is c1ccc(-c2sc3c(ccc4c3c3ccccc3n4-c3ccc(-c4nc(-c5ccncc5)nc(-c5ccc(-c6ccncc6)cc5)n4)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenyl-6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole?
The InChIKey is UDDVNKFVCCQPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N6S/c1-3-9-35(10-4-1)45-42-23-24-44-46(48(42)58-47(45)36-11-5-2-6-12-36)41-13-7-8-14-43(41)57(44)40-21-19-38(20-22-40)50-54-49(55-51(56-50)39-27-31-53-32-28-39)37-17-15-33(16-18-37)34-25-29-52-30-26-34/h1-32H.
What are the key properties of 2,3-diphenyl-6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole?
2,3-diphenyl-6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole has a molecular weight of 760.93 g/mol, XLogP of 12.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole is sourced from PubChem (CID 118229645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).