10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene

C37H22N4 — CID 118564899

IUPAC10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)-c3cccc4cccc-5c34)n2)cc1
InChIInChI=1S/C37H22N4/c1-3-11-24(12-4-1)35-38-36(25-13-5-2-6-14-25)40-37(39-35)41-30-20-8-7-17-28(30)34-31(41)22-21-27-26-18-9-15-23-16-10-19-29(32(23)26)33(27)34/h1-22H
InChIKeyHOGGGJZSAYYETK-UHFFFAOYSA-N
MW522.61 g/mol
LogP9.10
Rot. Bonds3

About 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene (PubChem CID 118564899) has the molecular formula C37H22N4 and a molecular weight of 522.61 g/mol. Its IUPAC name is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene.

Molecular Properties

Compound Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
PubChem CID118564899
Molecular FormulaC37H22N4
Molecular Weight522.61 g/mol
Exact Mass522.18
IUPAC Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)-c3cccc4cccc-5c34)n2)cc1
InChIInChI=1S/C37H22N4/c1-3-11-24(12-4-1)35-38-36(25-13-5-2-6-14-25)40-37(39-35)41-30-20-8-7-17-28(30)34-31(41)22-21-27-26-18-9-15-23-16-10-19-29(32(23)26)33(27)34/h1-22H
InChIKeyHOGGGJZSAYYETK-UHFFFAOYSA-N
XLogP9.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene with MolForge

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Related Compounds

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene
CID 135297330
9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-4-yl]carbazole
CID 176871191
10-[4-(4-phenylquinazolin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118564966
9-[4-[4-[8-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 177283294
30-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(29),26-tetradecaene
CID 164840627
4-(10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaen-10-yl)aniline
CID 144751191
1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-naphthalen-2-ylcarbazole
CID 168764938
6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene
CID 155771553
28-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1(20),2,4,6,8,10,12,14,16,18,21(29),22,24,26,30-pentadecaene
CID 164748084
18-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-18-azahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),19,21,23-dodecaene
CID 158518596
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 169037359
5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole sulfide
CID 158568390

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene?
The IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene (CID 118564899) is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene.
What is the SMILES notation for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene?
The canonical SMILES for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)-c3cccc4cccc-5c34)n2)cc1.
What is the InChIKey of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene?
The InChIKey is HOGGGJZSAYYETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N4/c1-3-11-24(12-4-1)35-38-36(25-13-5-2-6-14-25)40-37(39-35)41-30-20-8-7-17-28(30)34-31(41)22-21-27-26-18-9-15-23-16-10-19-29(32(23)26)33(27)34/h1-22H.
What are the key properties of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene?
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene has a molecular weight of 522.61 g/mol, XLogP of 9.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene is sourced from PubChem (CID 118564899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).