7-[6-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-5,10-diphenylbenzo[c]carbazole

C65H38N4OS — CID 170412606

IUPAC7-[6-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-5,10-diphenylbenzo[c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4ccccc4c(-c4ccccc4)cc2n3-c2ccc3c(c2)sc2c(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)cccc23)cc1
InChIInChI=1S/C65H38N4OS/c1-3-16-39(17-4-1)42-32-35-56-55(36-42)60-48-25-10-9-23-45(48)54(41-18-5-2-6-19-41)38-57(60)69(56)43-33-34-47-50-27-15-30-53(62(50)71-59(47)37-43)65-67-63(51-28-13-21-40-20-7-8-22-44(40)51)66-64(68-65)52-29-14-26-49-46-24-11-12-31-58(46)70-61(49)52/h1-38H
InChIKeyQGHLFVCMJNBQGD-UHFFFAOYSA-N
MW923.11 g/mol
LogP17.88
Rot. Bonds6

About 7-[6-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-5,10-diphenylbenzo[c]carbazole

7-[6-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-5,10-diphenylbenzo[c]carbazole (PubChem CID 170412606) has the molecular formula C65H38N4OS and a molecular weight of 923.11 g/mol. Its IUPAC name is 7-[6-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-5,10-diphenylbenzo[c]carbazole.

Molecular Properties

Compound Name7-[6-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-5,10-diphenylbenzo[c]carbazole
PubChem CID170412606
Molecular FormulaC65H38N4OS
Molecular Weight923.11 g/mol
Exact Mass922.28
IUPAC Name7-[6-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-5,10-diphenylbenzo[c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4ccccc4c(-c4ccccc4)cc2n3-c2ccc3c(c2)sc2c(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)cccc23)cc1
InChIInChI=1S/C65H38N4OS/c1-3-16-39(17-4-1)42-32-35-56-55(36-42)60-48-25-10-9-23-45(48)54(41-18-5-2-6-19-41)38-57(60)69(56)43-33-34-47-50-27-15-30-53(62(50)71-59(47)37-43)65-67-63(51-28-13-21-40-20-7-8-22-44(40)51)66-64(68-65)52-29-14-26-49-46-24-11-12-31-58(46)70-61(49)52/h1-38H
InChIKeyQGHLFVCMJNBQGD-UHFFFAOYSA-N
XLogP17.88
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.11
LogP ≤ 517.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[6-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-5,10-diphenylbenzo[c]carbazole with MolForge

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Related Compounds

9-[6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole
CID 170373893
9-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-3,6-diphenylcarbazole
CID 170278460
9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole
CID 147477349
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine
CID 161097020
12-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 163657169
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
CID 169010650
5-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene;5-dibenzothiophen-4-yl-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene;9-phenyl-5-(9-phenylcarbazol-1-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene;9-phenyl-5-(9-phenylcarbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene;9-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene
CID 159371655
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170362985
11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;11-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,5-diphenyl-[1]benzothiolo[3,2-c]carbazole
CID 158699020
5-(4-dibenzofuran-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 159515126
2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 159094409
2-dibenzofuran-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 159942407

Frequently Asked Questions

What is the IUPAC name of 7-[6-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-5,10-diphenylbenzo[c]carbazole?
The IUPAC name of 7-[6-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-5,10-diphenylbenzo[c]carbazole (CID 170412606) is 7-[6-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-5,10-diphenylbenzo[c]carbazole.
What is the SMILES notation for 7-[6-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-5,10-diphenylbenzo[c]carbazole?
The canonical SMILES for 7-[6-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-5,10-diphenylbenzo[c]carbazole is c1ccc(-c2ccc3c(c2)c2c4ccccc4c(-c4ccccc4)cc2n3-c2ccc3c(c2)sc2c(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)cccc23)cc1.
What is the InChIKey of 7-[6-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-5,10-diphenylbenzo[c]carbazole?
The InChIKey is QGHLFVCMJNBQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H38N4OS/c1-3-16-39(17-4-1)42-32-35-56-55(36-42)60-48-25-10-9-23-45(48)54(41-18-5-2-6-19-41)38-57(60)69(56)43-33-34-47-50-27-15-30-53(62(50)71-59(47)37-43)65-67-63(51-28-13-21-40-20-7-8-22-44(40)51)66-64(68-65)52-29-14-26-49-46-24-11-12-31-58(46)70-61(49)52/h1-38H.
What are the key properties of 7-[6-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-5,10-diphenylbenzo[c]carbazole?
7-[6-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-5,10-diphenylbenzo[c]carbazole has a molecular weight of 923.11 g/mol, XLogP of 17.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-5,10-diphenylbenzo[c]carbazole is sourced from PubChem (CID 170412606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).