8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(3-phenylphenyl)phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;8-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole

C114H74N8O2S — CID 163534280

IUPAC8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(3-phenylphenyl)phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;8-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CC2c3c(cccc3-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)OC2c2c1n(-c1ccc(-c3cccc(-c4ccccc4)c3)cc1)c1ccccc21.C1=CC2c3c(cccc3-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)OC2c2c1n(-c1ccc(-c3ccccc3)cc1)c1ccccc21
InChIInChI=1S/C63H42N4O.C51H32N4OS/c1-4-16-41(17-5-1)45-22-12-23-46(38-45)44-32-34-51(35-33-44)67-55-30-11-10-28-52(55)59-56(67)37-36-53-58-54(29-15-31-57(58)68-60(53)59)63-65-61(49-26-13-24-47(39-49)42-18-6-2-7-19-42)64-62(66-63)50-27-14-25-48(40-50)43-20-8-3-9-21-43;1-3-12-31(13-4-1)32-22-25-35(26-23-32)55-41-19-9-7-17-38(41)47-42(55)29-28-39-46-40(18-11-20-43(46)56-48(39)47)51-53-49(33-14-5-2-6-15-33)52-50(54-51)34-24-27-37-36-16-8-10-21-44(36)57-45(37)30-34/h1-40,53,60H;1-30,39,48H
InChIKeyDVQAHEOTXDYJMZ-UHFFFAOYSA-N
MW1619.97 g/mol
LogP28.82
Rot. Bonds13

About 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(3-phenylphenyl)phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;8-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole

8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(3-phenylphenyl)phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;8-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole (PubChem CID 163534280) has the molecular formula C114H74N8O2S and a molecular weight of 1619.97 g/mol. Its IUPAC name is 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(3-phenylphenyl)phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;8-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(3-phenylphenyl)phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;8-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
PubChem CID163534280
Molecular FormulaC114H74N8O2S
Molecular Weight1619.97 g/mol
Exact Mass1618.57
IUPAC Name8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(3-phenylphenyl)phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;8-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CC2c3c(cccc3-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)OC2c2c1n(-c1ccc(-c3cccc(-c4ccccc4)c3)cc1)c1ccccc21.C1=CC2c3c(cccc3-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)OC2c2c1n(-c1ccc(-c3ccccc3)cc1)c1ccccc21
InChIInChI=1S/C63H42N4O.C51H32N4OS/c1-4-16-41(17-5-1)45-22-12-23-46(38-45)44-32-34-51(35-33-44)67-55-30-11-10-28-52(55)59-56(67)37-36-53-58-54(29-15-31-57(58)68-60(53)59)63-65-61(49-26-13-24-47(39-49)42-18-6-2-7-19-42)64-62(66-63)50-27-14-25-48(40-50)43-20-8-3-9-21-43;1-3-12-31(13-4-1)32-22-25-35(26-23-32)55-41-19-9-7-17-38(41)47-42(55)29-28-39-46-40(18-11-20-43(46)56-48(39)47)51-53-49(33-14-5-2-6-15-33)52-50(54-51)34-24-27-37-36-16-8-10-21-44(36)57-45(37)30-34/h1-40,53,60H;1-30,39,48H
InChIKeyDVQAHEOTXDYJMZ-UHFFFAOYSA-N
XLogP28.82
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001619.97
LogP ≤ 528.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(3-phenylphenyl)phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;8-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

5-[3-(4-phenylphenyl)phenyl]-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163676525
5-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163966387
8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163718922
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163768613
9-(4-dibenzothiophen-3-ylphenyl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171437952
5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163922728
9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163984558
5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163607189
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;5-phenyl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163546959
1-dibenzothiophen-3-yl-9-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 163716128
9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163833771
9-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572632

Frequently Asked Questions

What is the IUPAC name of 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(3-phenylphenyl)phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;8-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(3-phenylphenyl)phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;8-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole (CID 163534280) is 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(3-phenylphenyl)phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;8-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(3-phenylphenyl)phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;8-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(3-phenylphenyl)phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;8-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole is C1=CC2c3c(cccc3-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)OC2c2c1n(-c1ccc(-c3cccc(-c4ccccc4)c3)cc1)c1ccccc21.C1=CC2c3c(cccc3-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4ccccc45)n3)OC2c2c1n(-c1ccc(-c3ccccc3)cc1)c1ccccc21.
What is the InChIKey of 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(3-phenylphenyl)phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;8-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
The InChIKey is DVQAHEOTXDYJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4O.C51H32N4OS/c1-4-16-41(17-5-1)45-22-12-23-46(38-45)44-32-34-51(35-33-44)67-55-30-11-10-28-52(55)59-56(67)37-36-53-58-54(29-15-31-57(58)68-60(53)59)63-65-61(49-26-13-24-47(39-49)42-18-6-2-7-19-42)64-62(66-63)50-27-14-25-48(40-50)43-20-8-3-9-21-43;1-3-12-31(13-4-1)32-22-25-35(26-23-32)55-41-19-9-7-17-38(41)47-42(55)29-28-39-46-40(18-11-20-43(46)56-48(39)47)51-53-49(33-14-5-2-6-15-33)52-50(54-51)34-24-27-37-36-16-8-10-21-44(36)57-45(37)30-34/h1-40,53,60H;1-30,39,48H.
What are the key properties of 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(3-phenylphenyl)phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;8-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(3-phenylphenyl)phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;8-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1619.97 g/mol, XLogP of 28.82, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[4-(3-phenylphenyl)phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;8-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 163534280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).