9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene

C34H21N3 — CID 155371729

IUPAC9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)-n2c4ccccc4c4cccc(c42)-c2ccccc2-3)cc1
InChIInChI=1S/C34H21N3/c1-3-12-22(13-4-1)31-30-26-18-8-7-16-24(26)27-19-11-20-28-25-17-9-10-21-29(25)37(32(27)28)34(30)36-33(35-31)23-14-5-2-6-15-23/h1-21H
InChIKeyKHSYBPXNXJRQGY-UHFFFAOYSA-N
MW471.56 g/mol
LogP8.56
Rot. Bonds2

About 9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene

9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene (PubChem CID 155371729) has the molecular formula C34H21N3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene.

Molecular Properties

Compound Name9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
PubChem CID155371729
Molecular FormulaC34H21N3
Molecular Weight471.56 g/mol
Exact Mass471.17
IUPAC Name9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)-n2c4ccccc4c4cccc(c42)-c2ccccc2-3)cc1
InChIInChI=1S/C34H21N3/c1-3-12-22(13-4-1)31-30-26-18-8-7-16-24(26)27-19-11-20-28-25-17-9-10-21-29(25)37(32(27)28)34(30)36-33(35-31)23-14-5-2-6-15-23/h1-21H
InChIKeyKHSYBPXNXJRQGY-UHFFFAOYSA-N
XLogP8.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene with MolForge

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Related Compounds

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole
CID 89296040
11-phenyl-12,14-diazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121385933
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 121386013
11-(2-carbazol-9-ylphenyl)-9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;21,21-dimethyl-9,11-diphenyl-10,12,14-triazahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene;11-phenyl-9-pyridin-3-yl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene;triphenyl-[4-(9-phenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaen-11-yl)phenyl]silane
CID 162149818
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 155140501
12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 122466261
1-(9-phenylcarbazol-1-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305816
1,8-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 130438691
15-(2,6-diphenylpyrimidin-4-yl)-4-phenyl-1,3-diazaoctacyclo[16.14.1.02,11.05,10.012,17.019,24.026,33.027,32]tritriaconta-2(11),3,5,7,9,12(17),13,15,18(33),19,21,23,25,27,29,31-hexadecaene
CID 163657581
9-phenyl-1-[2-(3-phenylphenyl)phenyl]carbazole
CID 175012916
9-[4-[2,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole
CID 158442826

Frequently Asked Questions

What is the IUPAC name of 9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?
The IUPAC name of 9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene (CID 155371729) is 9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene.
What is the SMILES notation for 9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?
The canonical SMILES for 9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene is c1ccc(-c2nc(-c3ccccc3)c3c(n2)-n2c4ccccc4c4cccc(c42)-c2ccccc2-3)cc1.
What is the InChIKey of 9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?
The InChIKey is KHSYBPXNXJRQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3/c1-3-12-22(13-4-1)31-30-26-18-8-7-16-24(26)27-19-11-20-28-25-17-9-10-21-29(25)37(32(27)28)34(30)36-33(35-31)23-14-5-2-6-15-23/h1-21H.
What are the key properties of 9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?
9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene has a molecular weight of 471.56 g/mol, XLogP of 8.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 155371729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).