4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene

C32H20N2 — CID 90249088

IUPAC4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene
SMILESc1ccc(-n2c3ccccc3c3c4ccc5cccc6c5c4c(cc32)n6-c2ccccc2)cc1
InChIInChI=1S/C32H20N2/c1-3-11-22(12-4-1)33-26-16-8-7-15-24(26)31-25-19-18-21-10-9-17-27-30(21)32(25)29(20-28(31)33)34(27)23-13-5-2-6-14-23/h1-20H
InChIKeyMANXLCQIZUQMKH-UHFFFAOYSA-N
MW432.53 g/mol
LogP8.47
Rot. Bonds2

About 4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene

4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene (PubChem CID 90249088) has the molecular formula C32H20N2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene.

Molecular Properties

Compound Name4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene
PubChem CID90249088
Molecular FormulaC32H20N2
Molecular Weight432.53 g/mol
Exact Mass432.16
IUPAC Name4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene
SMILESc1ccc(-n2c3ccccc3c3c4ccc5cccc6c5c4c(cc32)n6-c2ccccc2)cc1
InChIInChI=1S/C32H20N2/c1-3-11-22(12-4-1)33-26-16-8-7-15-24(26)31-25-19-18-21-10-9-17-27-30(21)32(25)29(20-28(31)33)34(27)23-13-5-2-6-14-23/h1-20H
InChIKeyMANXLCQIZUQMKH-UHFFFAOYSA-N
XLogP8.47
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene with MolForge

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Related Compounds

16-bromo-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene
CID 87411988
5,30-diphenyl-5,30-diazaoctacyclo[16.14.1.12,13.04,12.06,11.023,31.024,29.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20,22,24,26,28,31-hexadecaene
CID 118603673
25-(3-carbazol-9-ylphenyl)-10-(4-phenylphenyl)-10,25-diazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,15,18(26),19,21,23,27-tridecaene
CID 142289804
2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole
CID 131979777
10,18,27-triphenyl-10,18,27-triazaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19(31),20(28),21,23,25,29-tetradecaene
CID 146610783
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
4-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylcarbazole
CID 134507252
10-phenyl-1,10-diazaoctacyclo[16.10.2.02,14.03,11.04,9.015,29.022,30.023,28]triaconta-2(14),3(11),4,6,8,12,15(29),16,18(30),19,21,23,25,27-tetradecaene
CID 171084604
26-phenanthren-4-yl-4-(4-phenylphenyl)-4,26-diazaheptacyclo[21.2.1.03,11.05,10.012,25.013,18.019,24]hexacosa-1(25),2,5,7,9,11,13,15,17,19(24),20,22-dodecaene
CID 163899158
2-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351342
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
16-(4-naphthalen-1-ylphenyl)-12-(9-phenylcarbazol-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 164761193

Frequently Asked Questions

What is the IUPAC name of 4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene?
The IUPAC name of 4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene (CID 90249088) is 4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene.
What is the SMILES notation for 4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene?
The canonical SMILES for 4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene is c1ccc(-n2c3ccccc3c3c4ccc5cccc6c5c4c(cc32)n6-c2ccccc2)cc1.
What is the InChIKey of 4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene?
The InChIKey is MANXLCQIZUQMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2/c1-3-11-22(12-4-1)33-26-16-8-7-15-24(26)31-25-19-18-21-10-9-17-27-30(21)32(25)29(20-28(31)33)34(27)23-13-5-2-6-14-23/h1-20H.
What are the key properties of 4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene?
4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene has a molecular weight of 432.53 g/mol, XLogP of 8.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene is sourced from PubChem (CID 90249088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).