9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole

C51H34N4 — CID 139335327

IUPAC9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5cc6c(cc5c4)Cc4ccc(-n5c7ccccc7c7ccccc75)cc4C6)cc3)n2)cc1
InChIInChI=1S/C51H34N4/c1-3-11-34(12-4-1)49-52-50(35-13-5-2-6-14-35)54-51(53-49)36-21-19-33(20-22-36)37-23-24-38-28-42-31-43-32-44(26-25-39(43)29-41(42)30-40(38)27-37)55-47-17-9-7-15-45(47)46-16-8-10-18-48(46)55/h1-28,30,32H,29,31H2
InChIKeyZPALHRQZTNQRTO-UHFFFAOYSA-N
MW702.86 g/mol
LogP12.28
Rot. Bonds5

About 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole

9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole (PubChem CID 139335327) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole.

Molecular Properties

Compound Name9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole
PubChem CID139335327
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5cc6c(cc5c4)Cc4ccc(-n5c7ccccc7c7ccccc75)cc4C6)cc3)n2)cc1
InChIInChI=1S/C51H34N4/c1-3-11-34(12-4-1)49-52-50(35-13-5-2-6-14-35)54-51(53-49)36-21-19-33(20-22-36)37-23-24-38-28-42-31-43-32-44(26-25-39(43)29-41(42)30-40(38)27-37)55-47-17-9-7-15-45(47)46-16-8-10-18-48(46)55/h1-28,30,32H,29,31H2
InChIKeyZPALHRQZTNQRTO-UHFFFAOYSA-N
XLogP12.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 512.28
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-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole
CID 139329534
9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole
CID 139335308
9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]-3,6-diphenylcarbazole
CID 139335220
9-[8-(3-phenyl-2-benzothiophen-1-yl)-5,12-dihydrotetracen-2-yl]carbazole
CID 139335239
9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]carbazole
CID 146335978
3-phenyl-9-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167031817
9-[4-[4-[3-[7-[3-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphthalen-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146650760
9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 166915555
9-[4-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146622020
9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 58971465
11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 170280570

Frequently Asked Questions

What is the IUPAC name of 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole?
The IUPAC name of 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole (CID 139335327) is 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole.
What is the SMILES notation for 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole?
The canonical SMILES for 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5cc6c(cc5c4)Cc4ccc(-n5c7ccccc7c7ccccc75)cc4C6)cc3)n2)cc1.
What is the InChIKey of 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole?
The InChIKey is ZPALHRQZTNQRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-3-11-34(12-4-1)49-52-50(35-13-5-2-6-14-35)54-51(53-49)36-21-19-33(20-22-36)37-23-24-38-28-42-31-43-32-44(26-25-39(43)29-41(42)30-40(38)27-37)55-47-17-9-7-15-45(47)46-16-8-10-18-48(46)55/h1-28,30,32H,29,31H2.
What are the key properties of 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole?
9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole has a molecular weight of 702.86 g/mol, XLogP of 12.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole is sourced from PubChem (CID 139335327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).