3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene

C33H24N4 — CID 156574320

IUPAC3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene
SMILESCc1cccc(-n2c3ccccc3c3ccc4c(nc5n(-c6cccc(C)c6)c6ccccc6n45)c32)c1
InChIInChI=1S/C33H24N4/c1-21-9-7-11-23(19-21)35-27-14-4-3-13-25(27)26-17-18-30-31(32(26)35)34-33-36(24-12-8-10-22(2)20-24)28-15-5-6-16-29(28)37(30)33/h3-20H,1-2H3
InChIKeyQXSITSYEIPXXFD-UHFFFAOYSA-N
MW476.58 g/mol
LogP8.15
Rot. Bonds2

About 3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene

3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene (PubChem CID 156574320) has the molecular formula C33H24N4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene.

Molecular Properties

Compound Name3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene
PubChem CID156574320
Molecular FormulaC33H24N4
Molecular Weight476.58 g/mol
Exact Mass476.20
IUPAC Name3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene
SMILESCc1cccc(-n2c3ccccc3c3ccc4c(nc5n(-c6cccc(C)c6)c6ccccc6n45)c32)c1
InChIInChI=1S/C33H24N4/c1-21-9-7-11-23(19-21)35-27-14-4-3-13-25(27)26-17-18-30-31(32(26)35)34-33-36(24-12-8-10-22(2)20-24)28-15-5-6-16-29(28)37(30)33/h3-20H,1-2H3
InChIKeyQXSITSYEIPXXFD-UHFFFAOYSA-N
XLogP8.15
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene with MolForge

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Related Compounds

6-methyl-3,21-diphenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,22-decaene
CID 167188174
[6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane
CID 169290711
ethane;9-(3-methylphenyl)carbazole
CID 143904684
21-phenyl-3-spiro[8-thia-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-14,14'-8-thia-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene]-5-yl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene
CID 164714335
9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene
CID 154646612
20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 159941213
2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 126759349
12-[3-(1-phenylbenzimidazol-2-yl)phenyl]-1,12,15-triazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17,19,21,23,25,27-tridecaene
CID 118330831
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylimidazo[4,5-a]carbazole
CID 135248603
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene
CID 163886824

Frequently Asked Questions

What is the IUPAC name of 3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene?
The IUPAC name of 3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene (CID 156574320) is 3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene.
What is the SMILES notation for 3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene?
The canonical SMILES for 3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene is Cc1cccc(-n2c3ccccc3c3ccc4c(nc5n(-c6cccc(C)c6)c6ccccc6n45)c32)c1.
What is the InChIKey of 3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene?
The InChIKey is QXSITSYEIPXXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N4/c1-21-9-7-11-23(19-21)35-27-14-4-3-13-25(27)26-17-18-30-31(32(26)35)34-33-36(24-12-8-10-22(2)20-24)28-15-5-6-16-29(28)37(30)33/h3-20H,1-2H3.
What are the key properties of 3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene?
3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene has a molecular weight of 476.58 g/mol, XLogP of 8.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene is sourced from PubChem (CID 156574320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).