12-(3-phenylphenyl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydro-[1]benzofuro[3,2-a]carbazole

C51H34N4O — CID 174373392

IUPAC12-(3-phenylphenyl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydro-[1]benzofuro[3,2-a]carbazole
SMILESC1=c2oc3ccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c3c2=CC(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)C1
InChIInChI=1S/C51H34N4O/c1-4-13-33(14-5-1)35-23-25-37(26-24-35)50-52-49(36-17-8-3-9-18-36)53-51(54-50)39-27-29-45-43(32-39)47-46(56-45)30-28-42-41-21-10-11-22-44(41)55(48(42)47)40-20-12-19-38(31-40)34-15-6-2-7-16-34/h1-26,28-32,39H,27H2
InChIKeyRKMMGTIXDKKTKY-UHFFFAOYSA-N
MW718.86 g/mol
LogP11.13
Rot. Bonds6

About 12-(3-phenylphenyl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydro-[1]benzofuro[3,2-a]carbazole

12-(3-phenylphenyl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydro-[1]benzofuro[3,2-a]carbazole (PubChem CID 174373392) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 12-(3-phenylphenyl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydro-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-(3-phenylphenyl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydro-[1]benzofuro[3,2-a]carbazole
PubChem CID174373392
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name12-(3-phenylphenyl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydro-[1]benzofuro[3,2-a]carbazole
SMILESC1=c2oc3ccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c3c2=CC(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)C1
InChIInChI=1S/C51H34N4O/c1-4-13-33(14-5-1)35-23-25-37(26-24-35)50-52-49(36-17-8-3-9-18-36)53-51(54-50)39-27-29-45-43(32-39)47-46(56-45)30-28-42-41-21-10-11-22-44(41)55(48(42)47)40-20-12-19-38(31-40)34-15-6-2-7-16-34/h1-26,28-32,39H,27H2
InChIKeyRKMMGTIXDKKTKY-UHFFFAOYSA-N
XLogP11.13
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 ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 164705594
9-[4-[4-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole
CID 153304402
12-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163960395
12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 126630971
12-[4-(3-phenylphenyl)phenyl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 163977496
1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole;1-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163485855
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163629204
12-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(3-phenylphenyl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701765
11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169
4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 164705596
12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 171591767
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 135166141

Frequently Asked Questions

What is the IUPAC name of 12-(3-phenylphenyl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydro-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-(3-phenylphenyl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydro-[1]benzofuro[3,2-a]carbazole (CID 174373392) is 12-(3-phenylphenyl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydro-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-(3-phenylphenyl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydro-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-(3-phenylphenyl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydro-[1]benzofuro[3,2-a]carbazole is C1=c2oc3ccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c3c2=CC(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)C1.
What is the InChIKey of 12-(3-phenylphenyl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydro-[1]benzofuro[3,2-a]carbazole?
The InChIKey is RKMMGTIXDKKTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-4-13-33(14-5-1)35-23-25-37(26-24-35)50-52-49(36-17-8-3-9-18-36)53-51(54-50)39-27-29-45-43(32-39)47-46(56-45)30-28-42-41-21-10-11-22-44(41)55(48(42)47)40-20-12-19-38(31-40)34-15-6-2-7-16-34/h1-26,28-32,39H,27H2.
What are the key properties of 12-(3-phenylphenyl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydro-[1]benzofuro[3,2-a]carbazole?
12-(3-phenylphenyl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydro-[1]benzofuro[3,2-a]carbazole has a molecular weight of 718.86 g/mol, XLogP of 11.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-phenylphenyl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydro-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 174373392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).