22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),3,5,7,9,14,16,18,20,23-decaene

C43H33N — CID 122464812

IUPAC22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),3,5,7,9,14,16,18,20,23-decaene
SMILESCC1(C)c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3cc2C2C=c3ccccc3=CC21
InChIInChI=1S/C43H33N/c1-43(2)39-25-31-18-10-9-17-30(31)24-36(39)37-27-42-38(26-40(37)43)35-19-11-12-20-41(35)44(42)34-22-32(28-13-5-3-6-14-28)21-33(23-34)29-15-7-4-8-16-29/h3-27,36,39H,1-2H3
InChIKeyODDRFAQFMXKVHR-UHFFFAOYSA-N
MW563.74 g/mol
LogP9.38
Rot. Bonds3

About 22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),3,5,7,9,14,16,18,20,23-decaene

22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),3,5,7,9,14,16,18,20,23-decaene (PubChem CID 122464812) has the molecular formula C43H33N and a molecular weight of 563.74 g/mol. Its IUPAC name is 22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),3,5,7,9,14,16,18,20,23-decaene.

Molecular Properties

Compound Name22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),3,5,7,9,14,16,18,20,23-decaene
PubChem CID122464812
Molecular FormulaC43H33N
Molecular Weight563.74 g/mol
Exact Mass563.26
IUPAC Name22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),3,5,7,9,14,16,18,20,23-decaene
SMILESCC1(C)c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3cc2C2C=c3ccccc3=CC21
InChIInChI=1S/C43H33N/c1-43(2)39-25-31-18-10-9-17-30(31)24-36(39)37-27-42-38(26-40(37)43)35-19-11-12-20-41(35)44(42)34-22-32(28-13-5-3-6-14-28)21-33(23-34)29-15-7-4-8-16-29/h3-27,36,39H,1-2H3
InChIKeyODDRFAQFMXKVHR-UHFFFAOYSA-N
XLogP9.38
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),3,5,7,9,14,16,18,20,23-decaene with MolForge

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Related Compounds

22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene
CID 177087294
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-(3-carbazol-9-yl-5-phenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 146581716
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
5,11-bis(3-phenylphenyl)indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 160597289
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-[3,5-bis(3-phenylphenyl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-[3-carbazol-9-yl-5-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-(3,5-diphenylphenyl)-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole;9-[3-(3,5-diphenylphenyl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 158382365
22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464780
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598868
5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-phenylindolo[2,3-b]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 159483264
5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 159455961
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662

Frequently Asked Questions

What is the IUPAC name of 22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),3,5,7,9,14,16,18,20,23-decaene?
The IUPAC name of 22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),3,5,7,9,14,16,18,20,23-decaene (CID 122464812) is 22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),3,5,7,9,14,16,18,20,23-decaene.
What is the SMILES notation for 22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),3,5,7,9,14,16,18,20,23-decaene?
The canonical SMILES for 22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),3,5,7,9,14,16,18,20,23-decaene is CC1(C)c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3cc2C2C=c3ccccc3=CC21.
What is the InChIKey of 22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),3,5,7,9,14,16,18,20,23-decaene?
The InChIKey is ODDRFAQFMXKVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N/c1-43(2)39-25-31-18-10-9-17-30(31)24-36(39)37-27-42-38(26-40(37)43)35-19-11-12-20-41(35)44(42)34-22-32(28-13-5-3-6-14-28)21-33(23-34)29-15-7-4-8-16-29/h3-27,36,39H,1-2H3.
What are the key properties of 22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),3,5,7,9,14,16,18,20,23-decaene?
22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),3,5,7,9,14,16,18,20,23-decaene has a molecular weight of 563.74 g/mol, XLogP of 9.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),3,5,7,9,14,16,18,20,23-decaene is sourced from PubChem (CID 122464812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).