8-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline

C48H29N5O — CID 155018899

IUPAC8-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4oc5c6ccccc6nc(-c6ccccc6)c5c4c3)n2)cc1
InChIInChI=1S/C48H29N5O/c1-3-14-30(15-4-1)44-43-38-29-33(26-27-42(38)54-45(43)37-22-7-10-23-39(37)49-44)48-51-46(31-16-5-2-6-17-31)50-47(52-48)32-18-13-19-34(28-32)53-40-24-11-8-20-35(40)36-21-9-12-25-41(36)53/h1-29H
InChIKeyJFEDBELWDKTKSF-UHFFFAOYSA-N
MW691.79 g/mol
LogP12.08
Rot. Bonds5

About 8-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline

8-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline (PubChem CID 155018899) has the molecular formula C48H29N5O and a molecular weight of 691.79 g/mol. Its IUPAC name is 8-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name8-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
PubChem CID155018899
Molecular FormulaC48H29N5O
Molecular Weight691.79 g/mol
Exact Mass691.24
IUPAC Name8-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4oc5c6ccccc6nc(-c6ccccc6)c5c4c3)n2)cc1
InChIInChI=1S/C48H29N5O/c1-3-14-30(15-4-1)44-43-38-29-33(26-27-42(38)54-45(43)37-22-7-10-23-39(37)49-44)48-51-46(31-16-5-2-6-17-31)50-47(52-48)32-18-13-19-34(28-32)53-40-24-11-8-20-35(40)36-21-9-12-25-41(36)53/h1-29H
InChIKeyJFEDBELWDKTKSF-UHFFFAOYSA-N
XLogP12.08
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.79
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

11-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene
CID 162703534
6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline
CID 158919609
3-[8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[8-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 159222480
3-(3-carbazol-9-ylphenyl)-9-[3-[3-[3-[4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]phenyl]phenyl]carbazole
CID 138718138
3-(3-carbazol-9-ylphenyl)-9-[3-[4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 138718163
14-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246242
9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 171591736
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)-6-[8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377446
9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl]carbazole
CID 146664716
3-dibenzofuran-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 158611861
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[8-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377414
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168767935

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 8-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline (CID 155018899) is 8-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 8-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 8-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4oc5c6ccccc6nc(-c6ccccc6)c5c4c3)n2)cc1.
What is the InChIKey of 8-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline?
The InChIKey is JFEDBELWDKTKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5O/c1-3-14-30(15-4-1)44-43-38-29-33(26-27-42(38)54-45(43)37-22-7-10-23-39(37)49-44)48-51-46(31-16-5-2-6-17-31)50-47(52-48)32-18-13-19-34(28-32)53-40-24-11-8-20-35(40)36-21-9-12-25-41(36)53/h1-29H.
What are the key properties of 8-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline?
8-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline has a molecular weight of 691.79 g/mol, XLogP of 12.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 155018899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).