2-(8-phenyl-6,7-dihydrodibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

C51H34N4O — CID 170136343

IUPAC2-(8-phenyl-6,7-dihydrodibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESC1=C(c2ccccc2)CCc2oc3ccc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5c4)cc3c21
InChIInChI=1S/C51H34N4O/c1-4-12-33(13-5-1)35-20-22-37(23-21-35)50-52-49(36-16-8-3-9-17-36)53-51(54-50)55-45-19-11-10-18-41(45)42-27-24-40(32-46(42)55)39-26-29-48-44(31-39)43-30-38(25-28-47(43)56-48)34-14-6-2-7-15-34/h1-24,26-27,29-32H,25,28H2
InChIKeyIHHNSQPEEVZNRE-UHFFFAOYSA-N
MW718.86 g/mol
LogP12.87
Rot. Bonds6

About 2-(8-phenyl-6,7-dihydrodibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

2-(8-phenyl-6,7-dihydrodibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 170136343) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 2-(8-phenyl-6,7-dihydrodibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name2-(8-phenyl-6,7-dihydrodibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID170136343
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name2-(8-phenyl-6,7-dihydrodibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESC1=C(c2ccccc2)CCc2oc3ccc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5c4)cc3c21
InChIInChI=1S/C51H34N4O/c1-4-12-33(13-5-1)35-20-22-37(23-21-35)50-52-49(36-16-8-3-9-17-36)53-51(54-50)55-45-19-11-10-18-41(45)42-27-24-40(32-46(42)55)39-26-29-48-44(31-39)43-30-38(25-28-47(43)56-48)34-14-6-2-7-15-34/h1-24,26-27,29-32H,25,28H2
InChIKeyIHHNSQPEEVZNRE-UHFFFAOYSA-N
XLogP12.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole
CID 167309669
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3,5-diphenylphenyl)carbazole
CID 135144062
2-[4-(3,4-dihydrodibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 142352795
9-[8-[4-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-6,7-dihydrodibenzofuran-2-yl]carbazole
CID 149288215
2-dibenzofuran-2-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164970157
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 155050536
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 154978544
9-[4-(7-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358257
3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164954379
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole
CID 154602336
9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 129197250
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342775

Frequently Asked Questions

What is the IUPAC name of 2-(8-phenyl-6,7-dihydrodibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 2-(8-phenyl-6,7-dihydrodibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 170136343) is 2-(8-phenyl-6,7-dihydrodibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 2-(8-phenyl-6,7-dihydrodibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 2-(8-phenyl-6,7-dihydrodibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is C1=C(c2ccccc2)CCc2oc3ccc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5c4)cc3c21.
What is the InChIKey of 2-(8-phenyl-6,7-dihydrodibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is IHHNSQPEEVZNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-4-12-33(13-5-1)35-20-22-37(23-21-35)50-52-49(36-16-8-3-9-17-36)53-51(54-50)55-45-19-11-10-18-41(45)42-27-24-40(32-46(42)55)39-26-29-48-44(31-39)43-30-38(25-28-47(43)56-48)34-14-6-2-7-15-34/h1-24,26-27,29-32H,25,28H2.
What are the key properties of 2-(8-phenyl-6,7-dihydrodibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
2-(8-phenyl-6,7-dihydrodibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 718.86 g/mol, XLogP of 12.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-phenyl-6,7-dihydrodibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 170136343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).