2,4-diphenyl-6-[4-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)phenyl]-1,3,5-triazine;2,3-diphenyl-6-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)quinoxaline

C97H73N5S2 — CID 163610599

IUPAC2,4-diphenyl-6-[4-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)phenyl]-1,3,5-triazine;2,3-diphenyl-6-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)quinoxaline
SMILESCC1(C)c2ccccc2-c2c(c3sc4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4c3c3ccccc23)C1(C)C.CC1(C)c2ccccc2-c2c(c3sc4ccc(-c5ccc6nc(-c7ccccc7)c(-c7ccccc7)nc6c5)cc4c3c3ccccc23)C1(C)C
InChIInChI=1S/C49H37N3S.C48H36N2S/c1-48(2)39-22-14-13-21-37(39)41-35-19-11-12-20-36(35)42-38-29-34(27-28-40(38)53-44(42)43(41)49(48,3)4)30-23-25-33(26-24-30)47-51-45(31-15-7-5-8-16-31)50-46(52-47)32-17-9-6-10-18-32;1-47(2)37-22-14-13-21-35(37)41-33-19-11-12-20-34(33)42-36-27-31(24-26-40(36)51-46(42)43(41)48(47,3)4)32-23-25-38-39(28-32)50-45(30-17-9-6-10-18-30)44(49-38)29-15-7-5-8-16-29/h5-29H,1-4H3;5-28H,1-4H3
InChIKeyHFOPZGMRACHTEB-UHFFFAOYSA-N
MW1372.82 g/mol
LogP26.68
Rot. Bonds7

About 2,4-diphenyl-6-[4-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)phenyl]-1,3,5-triazine;2,3-diphenyl-6-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)quinoxaline

2,4-diphenyl-6-[4-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)phenyl]-1,3,5-triazine;2,3-diphenyl-6-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)quinoxaline (PubChem CID 163610599) has the molecular formula C97H73N5S2 and a molecular weight of 1372.82 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)phenyl]-1,3,5-triazine;2,3-diphenyl-6-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)quinoxaline.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)phenyl]-1,3,5-triazine;2,3-diphenyl-6-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)quinoxaline
PubChem CID163610599
Molecular FormulaC97H73N5S2
Molecular Weight1372.82 g/mol
Exact Mass1371.53
IUPAC Name2,4-diphenyl-6-[4-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)phenyl]-1,3,5-triazine;2,3-diphenyl-6-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)quinoxaline
SMILESCC1(C)c2ccccc2-c2c(c3sc4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4c3c3ccccc23)C1(C)C.CC1(C)c2ccccc2-c2c(c3sc4ccc(-c5ccc6nc(-c7ccccc7)c(-c7ccccc7)nc6c5)cc4c3c3ccccc23)C1(C)C
InChIInChI=1S/C49H37N3S.C48H36N2S/c1-48(2)39-22-14-13-21-37(39)41-35-19-11-12-20-36(35)42-38-29-34(27-28-40(38)53-44(42)43(41)49(48,3)4)30-23-25-33(26-24-30)47-51-45(31-15-7-5-8-16-31)50-46(52-47)32-17-9-6-10-18-32;1-47(2)37-22-14-13-21-35(37)41-33-19-11-12-20-34(33)42-36-27-31(24-26-40(36)51-46(42)43(41)48(47,3)4)32-23-25-38-39(28-32)50-45(30-17-9-6-10-18-30)44(49-38)29-15-7-5-8-16-29/h5-29H,1-4H3;5-28H,1-4H3
InChIKeyHFOPZGMRACHTEB-UHFFFAOYSA-N
XLogP26.68
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001372.82
LogP ≤ 526.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,4-diphenyl-6-[4-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)phenyl]-1,3,5-triazine;2,3-diphenyl-6-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)quinoxaline with MolForge

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Related Compounds

6-(3,3-dimethyl-21-hexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaenyl)-2,3-diphenylquinoxaline;2,4-diphenyl-6-(3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)quinazoline;6-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-2,3-diphenylquinoxaline
CID 165002194
10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 163571465
2,3-diphenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline
CID 163477160
7-[3-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-14-phenyl-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 166009833
6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline
CID 165098690
2,4-diphenyl-6-[4-(14,14,15,15-tetramethyl-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaen-6-yl)phenyl]-1,3,5-triazine
CID 163537867
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenyl-6-[8-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946763
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenyl-6-[4-[8-(4-phenylphenyl)dibenzothiophen-1-yl]phenyl]-1,3,5-triazine
CID 134199161
2,4-diphenyl-6-[3-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]-1,3,5-triazine
CID 134299695
10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-2-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[6-(4-phenanthren-2-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 163571462
2-dibenzothiophen-2-yl-4-phenyl-6-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]-1,3,5-triazine
CID 163454993
2-dibenzothiophen-2-yl-4-(3,3-dimethyl-21-hexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaenyl)-6-phenyl-1,3,5-triazine
CID 164721897

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)phenyl]-1,3,5-triazine;2,3-diphenyl-6-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)quinoxaline?
The IUPAC name of 2,4-diphenyl-6-[4-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)phenyl]-1,3,5-triazine;2,3-diphenyl-6-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)quinoxaline (CID 163610599) is 2,4-diphenyl-6-[4-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)phenyl]-1,3,5-triazine;2,3-diphenyl-6-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)quinoxaline.
What is the SMILES notation for 2,4-diphenyl-6-[4-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)phenyl]-1,3,5-triazine;2,3-diphenyl-6-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)quinoxaline?
The canonical SMILES for 2,4-diphenyl-6-[4-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)phenyl]-1,3,5-triazine;2,3-diphenyl-6-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)quinoxaline is CC1(C)c2ccccc2-c2c(c3sc4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4c3c3ccccc23)C1(C)C.CC1(C)c2ccccc2-c2c(c3sc4ccc(-c5ccc6nc(-c7ccccc7)c(-c7ccccc7)nc6c5)cc4c3c3ccccc23)C1(C)C.
What is the InChIKey of 2,4-diphenyl-6-[4-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)phenyl]-1,3,5-triazine;2,3-diphenyl-6-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)quinoxaline?
The InChIKey is HFOPZGMRACHTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N3S.C48H36N2S/c1-48(2)39-22-14-13-21-37(39)41-35-19-11-12-20-36(35)42-38-29-34(27-28-40(38)53-44(42)43(41)49(48,3)4)30-23-25-33(26-24-30)47-51-45(31-15-7-5-8-16-31)50-46(52-47)32-17-9-6-10-18-32;1-47(2)37-22-14-13-21-35(37)41-33-19-11-12-20-34(33)42-36-27-31(24-26-40(36)51-46(42)43(41)48(47,3)4)32-23-25-38-39(28-32)50-45(30-17-9-6-10-18-30)44(49-38)29-15-7-5-8-16-29/h5-29H,1-4H3;5-28H,1-4H3.
What are the key properties of 2,4-diphenyl-6-[4-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)phenyl]-1,3,5-triazine;2,3-diphenyl-6-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)quinoxaline?
2,4-diphenyl-6-[4-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)phenyl]-1,3,5-triazine;2,3-diphenyl-6-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)quinoxaline has a molecular weight of 1372.82 g/mol, XLogP of 26.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)phenyl]-1,3,5-triazine;2,3-diphenyl-6-(24,24,25,25-tetramethyl-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-7-yl)quinoxaline is sourced from PubChem (CID 163610599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).