2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine

C96H56N6O4 — CID 163821422

IUPAC2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc4oc5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9oc%10cc(-c%11cccc(-c%12nc(-c%13cccc%14c%13oc%13ccccc%13%14)nc(-c%13cccc%14oc%15ccc(-c%16ccccc%16-c%16ccccc%16)cc%15c%13%14)n%12)c%11)ccc%10c9c8)n7)c6)c5c4c3)cc2)cc1
InChIInChI=1S/C96H56N6O4/c1-4-19-57(20-5-1)58-39-41-59(42-40-58)63-44-48-83-79(53-63)88-72(32-17-37-85(88)103-83)65-26-15-28-68(52-65)92-97-91(61-23-8-3-9-24-61)98-94(99-92)69-46-50-82-78(55-69)74-47-43-64(56-87(74)105-82)62-25-14-27-67(51-62)93-100-95(102-96(101-93)77-35-16-33-75-73-31-12-13-36-81(73)106-90(75)77)76-34-18-38-86-89(76)80-54-66(45-49-84(80)104-86)71-30-11-10-29-70(71)60-21-6-2-7-22-60/h1-56H
InChIKeyNVTITWRYTFIVKY-UHFFFAOYSA-N
MW1357.54 g/mol
LogP25.66
Rot. Bonds12

About 2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine

2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine (PubChem CID 163821422) has the molecular formula C96H56N6O4 and a molecular weight of 1357.54 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine
PubChem CID163821422
Molecular FormulaC96H56N6O4
Molecular Weight1357.54 g/mol
Exact Mass1356.44
IUPAC Name2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc4oc5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9oc%10cc(-c%11cccc(-c%12nc(-c%13cccc%14c%13oc%13ccccc%13%14)nc(-c%13cccc%14oc%15ccc(-c%16ccccc%16-c%16ccccc%16)cc%15c%13%14)n%12)c%11)ccc%10c9c8)n7)c6)c5c4c3)cc2)cc1
InChIInChI=1S/C96H56N6O4/c1-4-19-57(20-5-1)58-39-41-59(42-40-58)63-44-48-83-79(53-63)88-72(32-17-37-85(88)103-83)65-26-15-28-68(52-65)92-97-91(61-23-8-3-9-24-61)98-94(99-92)69-46-50-82-78(55-69)74-47-43-64(56-87(74)105-82)62-25-14-27-67(51-62)93-100-95(102-96(101-93)77-35-16-33-75-73-31-12-13-36-81(73)106-90(75)77)76-34-18-38-86-89(76)80-54-66(45-49-84(80)104-86)71-30-11-10-29-70(71)60-21-6-2-7-22-60/h1-56H
InChIKeyNVTITWRYTFIVKY-UHFFFAOYSA-N
XLogP25.66
TPSA129.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001357.54
LogP ≤ 525.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 167655818
2,4-di(dibenzofuran-1-yl)-6-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-1,3,5-triazine;2-[8-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 164992462
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine
CID 157059283
2-[7-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 165045497
2-dibenzofuran-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 162117042
2-dibenzofuran-4-yl-4-phenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199121
2-dibenzofuran-1-yl-4-[3-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine;2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164950806
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[2-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[3-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 158497651
2-dibenzofuran-4-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198762
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 134199171
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 147201996
2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine (CID 163821422) is 2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc4oc5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9oc%10cc(-c%11cccc(-c%12nc(-c%13cccc%14c%13oc%13ccccc%13%14)nc(-c%13cccc%14oc%15ccc(-c%16ccccc%16-c%16ccccc%16)cc%15c%13%14)n%12)c%11)ccc%10c9c8)n7)c6)c5c4c3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine?
The InChIKey is NVTITWRYTFIVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H56N6O4/c1-4-19-57(20-5-1)58-39-41-59(42-40-58)63-44-48-83-79(53-63)88-72(32-17-37-85(88)103-83)65-26-15-28-68(52-65)92-97-91(61-23-8-3-9-24-61)98-94(99-92)69-46-50-82-78(55-69)74-47-43-64(56-87(74)105-82)62-25-14-27-67(51-62)93-100-95(102-96(101-93)77-35-16-33-75-73-31-12-13-36-81(73)106-90(75)77)76-34-18-38-86-89(76)80-54-66(45-49-84(80)104-86)71-30-11-10-29-70(71)60-21-6-2-7-22-60/h1-56H.
What are the key properties of 2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine has a molecular weight of 1357.54 g/mol, XLogP of 25.66, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 163821422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).