6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

C75H53N5S — CID 153304570

IUPAC6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
SMILESC1=CCCC(c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cc(C5=CCCC=C5)c(-n5c6ccccc6c6c7sc8c(ccc9c8c8ccccc8n9-c8ccccc8)c7ccc65)c(C5C=CC=CC5)c4)n3)c2)=C1
InChIInChI=1S/C75H53N5S/c1-7-23-48(24-8-1)53-43-54(49-25-9-2-10-26-49)45-55(44-53)74-76-73(52-31-15-5-16-32-52)77-75(78-74)56-46-62(50-27-11-3-12-28-50)70(63(47-56)51-29-13-4-14-30-51)80-65-38-22-20-36-61(65)69-67(80)42-40-59-58-39-41-66-68(71(58)81-72(59)69)60-35-19-21-37-64(60)79(66)57-33-17-6-18-34-57/h1-3,5-9,11-13,15-25,27,29-47,50H,4,10,14,26,28H2
InChIKeyVZSLUIBWZUGFPZ-UHFFFAOYSA-N
MW1056.35 g/mol
LogP20.17
Rot. Bonds9

About 6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (PubChem CID 153304570) has the molecular formula C75H53N5S and a molecular weight of 1056.35 g/mol. Its IUPAC name is 6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.

Molecular Properties

Compound Name6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
PubChem CID153304570
Molecular FormulaC75H53N5S
Molecular Weight1056.35 g/mol
Exact Mass1055.40
IUPAC Name6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
SMILESC1=CCCC(c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cc(C5=CCCC=C5)c(-n5c6ccccc6c6c7sc8c(ccc9c8c8ccccc8n9-c8ccccc8)c7ccc65)c(C5C=CC=CC5)c4)n3)c2)=C1
InChIInChI=1S/C75H53N5S/c1-7-23-48(24-8-1)53-43-54(49-25-9-2-10-26-49)45-55(44-53)74-76-73(52-31-15-5-16-32-52)77-75(78-74)56-46-62(50-27-11-3-12-28-50)70(63(47-56)51-29-13-4-14-30-51)80-65-38-22-20-36-61(65)69-67(80)42-40-59-58-39-41-66-68(71(58)81-72(59)69)60-35-19-21-37-64(60)79(66)57-33-17-6-18-34-57/h1-3,5-9,11-13,15-25,27,29-47,50H,4,10,14,26,28H2
InChIKeyVZSLUIBWZUGFPZ-UHFFFAOYSA-N
XLogP20.17
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001056.35
LogP ≤ 520.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene with MolForge

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Related Compounds

6-[2-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 168748196
12-[2-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole
CID 153304403
9-[4-[4-cyclohexa-2,4-dien-1-yl-6-[3-cyclohexa-1,3-dien-1-yl-5-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167072477
3-carbazol-9-yl-9-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-5-phenylcarbazole
CID 177276951
5-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole
CID 155179799
12-[2-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-cyclohexa-2,4-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-7-phenylindolo[2,3-b]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole
CID 165070752
3-carbazol-9-yl-9-[2-cyclohexa-2,4-dien-1-yl-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 167403558
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 148730654
3-[3-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole;ethane
CID 145094277
9-[2-cyclohexa-1,5-dien-1-yl-4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole
CID 177276855
7-(3,5-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 153459960
5-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 163810856

Frequently Asked Questions

What is the IUPAC name of 6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
The IUPAC name of 6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (CID 153304570) is 6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.
What is the SMILES notation for 6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
The canonical SMILES for 6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is C1=CCCC(c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cc(C5=CCCC=C5)c(-n5c6ccccc6c6c7sc8c(ccc9c8c8ccccc8n9-c8ccccc8)c7ccc65)c(C5C=CC=CC5)c4)n3)c2)=C1.
What is the InChIKey of 6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
The InChIKey is VZSLUIBWZUGFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H53N5S/c1-7-23-48(24-8-1)53-43-54(49-25-9-2-10-26-49)45-55(44-53)74-76-73(52-31-15-5-16-32-52)77-75(78-74)56-46-62(50-27-11-3-12-28-50)70(63(47-56)51-29-13-4-14-30-51)80-65-38-22-20-36-61(65)69-67(80)42-40-59-58-39-41-66-68(71(58)81-72(59)69)60-35-19-21-37-64(60)79(66)57-33-17-6-18-34-57/h1-3,5-9,11-13,15-25,27,29-47,50H,4,10,14,26,28H2.
What are the key properties of 6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene has a molecular weight of 1056.35 g/mol, XLogP of 20.17, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 153304570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).