25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene

C43H26N4S2 — CID 134179156

IUPAC25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc6ccccc6c5c5ccc6c(c54)Sc4ccccc4S6)cc3)n2)cc1
InChIInChI=1S/C43H26N4S2/c1-3-12-28(13-4-1)41-44-42(29-14-5-2-6-15-29)46-43(45-41)30-19-22-31(23-20-30)47-34-25-21-27-11-7-8-16-32(27)38(34)33-24-26-37-40(39(33)47)49-36-18-10-9-17-35(36)48-37/h1-26H
InChIKeyFCILUMPJUQJOGX-UHFFFAOYSA-N
MW662.84 g/mol
LogP11.74
Rot. Bonds4

About 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene

25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene (PubChem CID 134179156) has the molecular formula C43H26N4S2 and a molecular weight of 662.84 g/mol. Its IUPAC name is 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene.

Molecular Properties

Compound Name25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene
PubChem CID134179156
Molecular FormulaC43H26N4S2
Molecular Weight662.84 g/mol
Exact Mass662.16
IUPAC Name25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc6ccccc6c5c5ccc6c(c54)Sc4ccccc4S6)cc3)n2)cc1
InChIInChI=1S/C43H26N4S2/c1-3-12-28(13-4-1)41-44-42(29-14-5-2-6-15-29)46-43(45-41)30-19-22-31(23-20-30)47-34-25-21-27-11-7-8-16-32(27)38(34)33-24-26-37-40(39(33)47)49-36-18-10-9-17-35(36)48-37/h1-26H
InChIKeyFCILUMPJUQJOGX-UHFFFAOYSA-N
XLogP11.74
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene with MolForge

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Related Compounds

11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene
CID 135169606
15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,5-dimethyl-18,25-dithia-15-azaheptacyclo[14.12.0.02,14.04,12.06,11.017,26.019,24]octacosa-1(16),2,4(12),6,8,10,13,17(26),19,21,23,27-dodecaene
CID 134175588
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenanthren-3-ylbenzo[c]carbazole
CID 131979639
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-18,25-dithia-12-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene
CID 134175955
12-[4-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 170042519
9,24-bis(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 146253453
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 118133204
12-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118449213
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518
12-[4-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-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 166915621
13-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-azaheptacyclo[14.10.1.02,14.03,12.06,11.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene
CID 134398598
12-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-9-[4-[4,6-bis[4-[3,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 132605987

Frequently Asked Questions

What is the IUPAC name of 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene?
The IUPAC name of 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene (CID 134179156) is 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene.
What is the SMILES notation for 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene?
The canonical SMILES for 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc6ccccc6c5c5ccc6c(c54)Sc4ccccc4S6)cc3)n2)cc1.
What is the InChIKey of 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene?
The InChIKey is FCILUMPJUQJOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4S2/c1-3-12-28(13-4-1)41-44-42(29-14-5-2-6-15-29)46-43(45-41)30-19-22-31(23-20-30)47-34-25-21-27-11-7-8-16-32(27)38(34)33-24-26-37-40(39(33)47)49-36-18-10-9-17-35(36)48-37/h1-26H.
What are the key properties of 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene?
25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene has a molecular weight of 662.84 g/mol, XLogP of 11.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 134179156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).