9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole

C45H30N4 — CID 139329534

IUPAC9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Cc3cc5ccc(-n6c7ccccc7c7ccccc76)cc5cc3C4)n2)cc1
InChIInChI=1S/C45H30N4/c1-3-11-29(12-4-1)43-46-44(30-13-5-2-6-14-30)48-45(47-43)33-20-19-31-23-36-27-37-28-38(22-21-32(37)24-35(36)26-34(31)25-33)49-41-17-9-7-15-39(41)40-16-8-10-18-42(40)49/h1-22,24-25,27-28H,23,26H2
InChIKeyUMFFJFDAFOSDQE-UHFFFAOYSA-N
MW626.76 g/mol
LogP10.62
Rot. Bonds4

About 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole

9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole (PubChem CID 139329534) has the molecular formula C45H30N4 and a molecular weight of 626.76 g/mol. Its IUPAC name is 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole.

Molecular Properties

Compound Name9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole
PubChem CID139329534
Molecular FormulaC45H30N4
Molecular Weight626.76 g/mol
Exact Mass626.25
IUPAC Name9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Cc3cc5ccc(-n6c7ccccc7c7ccccc76)cc5cc3C4)n2)cc1
InChIInChI=1S/C45H30N4/c1-3-11-29(12-4-1)43-46-44(30-13-5-2-6-14-30)48-45(47-43)33-20-19-31-23-36-27-37-28-38(22-21-32(37)24-35(36)26-34(31)25-33)49-41-17-9-7-15-39(41)40-16-8-10-18-42(40)49/h1-22,24-25,27-28H,23,26H2
InChIKeyUMFFJFDAFOSDQE-UHFFFAOYSA-N
XLogP10.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-di(carbazol-9-yl)-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,12-dihydrotetracen-2-yl]carbazole
CID 139335356
9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole
CID 139335327
9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole
CID 139335308
11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 170280570
3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole
CID 159941537
9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]carbazole
CID 146335978
9-naphthalen-2-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087222
9-(8-bromo-6,11-dihydrotetracen-2-yl)carbazole
CID 139329518
9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole
CID 139335220
5-phenyl-11-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indolo[3,2-b]carbazole
CID 155240719
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406

Frequently Asked Questions

What is the IUPAC name of 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole?
The IUPAC name of 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole (CID 139329534) is 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole.
What is the SMILES notation for 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole?
The canonical SMILES for 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Cc3cc5ccc(-n6c7ccccc7c7ccccc76)cc5cc3C4)n2)cc1.
What is the InChIKey of 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole?
The InChIKey is UMFFJFDAFOSDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4/c1-3-11-29(12-4-1)43-46-44(30-13-5-2-6-14-30)48-45(47-43)33-20-19-31-23-36-27-37-28-38(22-21-32(37)24-35(36)26-34(31)25-33)49-41-17-9-7-15-39(41)40-16-8-10-18-42(40)49/h1-22,24-25,27-28H,23,26H2.
What are the key properties of 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole?
9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole has a molecular weight of 626.76 g/mol, XLogP of 10.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole is sourced from PubChem (CID 139329534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).