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

C35H24N4S — CID 123393594

IUPAC6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]thieno[2,3-c]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)N=C(c3ccc(-n4c5ccccc5c5c6ccsc6ccc54)cc3)N2)cc1
InChIInChI=1S/C35H24N4S/c1-3-9-23(10-4-1)33-36-34(24-11-5-2-6-12-24)38-35(37-33)25-15-17-26(18-16-25)39-29-14-8-7-13-27(29)32-28-21-22-40-31(28)20-19-30(32)39/h1-22,33H,(H,36,37,38)
InChIKeyPWGJRWUFVBVFGM-UHFFFAOYSA-N
MW532.67 g/mol
LogP8.49
Rot. Bonds4

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

6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]thieno[2,3-c]carbazole (PubChem CID 123393594) has the molecular formula C35H24N4S and a molecular weight of 532.67 g/mol. Its IUPAC name is 6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]thieno[2,3-c]carbazole.

Molecular Properties

Compound Name6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]thieno[2,3-c]carbazole
PubChem CID123393594
Molecular FormulaC35H24N4S
Molecular Weight532.67 g/mol
Exact Mass532.17
IUPAC Name6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]thieno[2,3-c]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)N=C(c3ccc(-n4c5ccccc5c5c6ccsc6ccc54)cc3)N2)cc1
InChIInChI=1S/C35H24N4S/c1-3-9-23(10-4-1)33-36-34(24-11-5-2-6-12-24)38-35(37-33)25-15-17-26(18-16-25)39-29-14-8-7-13-27(29)32-28-21-22-40-31(28)20-19-30(32)39/h1-22,33H,(H,36,37,38)
InChIKeyPWGJRWUFVBVFGM-UHFFFAOYSA-N
XLogP8.49
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.67
LogP ≤ 58.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 162363414
14-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),6,11,15,17,19-octaene
CID 134603667
12-[4-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166915678
4-[8-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 163594351
14-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 174277095
5,9-diphenyl-14-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 174277243
12-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163536905
9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole
CID 166961353
6-naphthalen-1-ylthieno[2,3-c]carbazole
CID 123514574
9,14-bis(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;ethane
CID 177063537
4-[3-[2-cyclohexa-1,5-dien-1-yl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-9-dibenzothiophen-2-ylcarbazole
CID 139556427
9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole
CID 168812688

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]thieno[2,3-c]carbazole?
The IUPAC name of 6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]thieno[2,3-c]carbazole (CID 123393594) is 6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]thieno[2,3-c]carbazole.
What is the SMILES notation for 6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]thieno[2,3-c]carbazole?
The canonical SMILES for 6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]thieno[2,3-c]carbazole is c1ccc(C2=NC(c3ccccc3)N=C(c3ccc(-n4c5ccccc5c5c6ccsc6ccc54)cc3)N2)cc1.
What is the InChIKey of 6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]thieno[2,3-c]carbazole?
The InChIKey is PWGJRWUFVBVFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N4S/c1-3-9-23(10-4-1)33-36-34(24-11-5-2-6-12-24)38-35(37-33)25-15-17-26(18-16-25)39-29-14-8-7-13-27(29)32-28-21-22-40-31(28)20-19-30(32)39/h1-22,33H,(H,36,37,38).
What are the key properties of 6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]thieno[2,3-c]carbazole?
6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]thieno[2,3-c]carbazole has a molecular weight of 532.67 g/mol, XLogP of 8.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]thieno[2,3-c]carbazole is sourced from PubChem (CID 123393594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).