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

C52H34N4O — CID 171052174

IUPAC9-[2-benzyl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole
SMILESc1ccc(Cc2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C52H34N4O/c1-4-14-34(15-5-1)30-40-31-39(52-54-50(35-16-6-2-7-17-35)53-51(55-52)36-18-8-3-9-19-36)25-27-45(40)56-46-22-12-10-20-41(46)43-32-37(24-28-47(43)56)38-26-29-49-44(33-38)42-21-11-13-23-48(42)57-49/h1-29,31-33H,30H2
InChIKeyPSPLLYAUGLSNMN-UHFFFAOYSA-N
MW730.87 g/mol
LogP13.13
Rot. Bonds7

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

9-[2-benzyl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole (PubChem CID 171052174) has the molecular formula C52H34N4O and a molecular weight of 730.87 g/mol. Its IUPAC name is 9-[2-benzyl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole.

Molecular Properties

Compound Name9-[2-benzyl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole
PubChem CID171052174
Molecular FormulaC52H34N4O
Molecular Weight730.87 g/mol
Exact Mass730.27
IUPAC Name9-[2-benzyl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole
SMILESc1ccc(Cc2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C52H34N4O/c1-4-14-34(15-5-1)30-40-31-39(52-54-50(35-16-6-2-7-17-35)53-51(55-52)36-18-8-3-9-19-36)25-27-45(40)56-46-22-12-10-20-41(46)43-32-37(24-28-47(43)56)38-26-29-49-44(33-38)42-21-11-13-23-48(42)57-49/h1-29,31-33H,30H2
InChIKeyPSPLLYAUGLSNMN-UHFFFAOYSA-N
XLogP13.13
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 154978544
3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 158642418
9-[4-[4-dibenzofuran-2-yl-6-(4-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-3,6-diphenylcarbazole
CID 146414244
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149414
9-[4-(7-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358257
3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 151400345
3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164956340
3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164954379
3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158205728
3-dibenzofuran-3-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 165007385
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 90211475

Frequently Asked Questions

What is the IUPAC name of 9-[2-benzyl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole?
The IUPAC name of 9-[2-benzyl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole (CID 171052174) is 9-[2-benzyl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole.
What is the SMILES notation for 9-[2-benzyl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole?
The canonical SMILES for 9-[2-benzyl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole is c1ccc(Cc2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of 9-[2-benzyl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole?
The InChIKey is PSPLLYAUGLSNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4O/c1-4-14-34(15-5-1)30-40-31-39(52-54-50(35-16-6-2-7-17-35)53-51(55-52)36-18-8-3-9-19-36)25-27-45(40)56-46-22-12-10-20-41(46)43-32-37(24-28-47(43)56)38-26-29-49-44(33-38)42-21-11-13-23-48(42)57-49/h1-29,31-33H,30H2.
What are the key properties of 9-[2-benzyl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole?
9-[2-benzyl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole has a molecular weight of 730.87 g/mol, XLogP of 13.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-benzyl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-dibenzofuran-2-ylcarbazole is sourced from PubChem (CID 171052174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).