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

C43H31N — CID 122464780

IUPAC22-(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
SMILESCC1(C)c2cc3ccccc3cc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C43H31N/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/h3-27H,1-2H3
InChIKeyLNZGGOYIEPTFBB-UHFFFAOYSA-N
MW561.73 g/mol
LogP11.58
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),2,4,6,8,10,14,16,18,20,23-undecaene

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 (PubChem CID 122464780) has the molecular formula C43H31N and a molecular weight of 561.73 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),2,4,6,8,10,14,16,18,20,23-undecaene.

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),2,4,6,8,10,14,16,18,20,23-undecaene
PubChem CID122464780
Molecular FormulaC43H31N
Molecular Weight561.73 g/mol
Exact Mass561.25
IUPAC Name22-(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
SMILESCC1(C)c2cc3ccccc3cc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C43H31N/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/h3-27H,1-2H3
InChIKeyLNZGGOYIEPTFBB-UHFFFAOYSA-N
XLogP11.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.73
LogP ≤ 511.58
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),2,4,6,8,10,14,16,18,20,23-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;iodomethane
CID 158767390
9-(3,5-diphenylphenyl)-22,22-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 122464753
12,12-dimethyl-16-naphthalen-2-yl-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 122464085
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146535003
5-[4-(3,5-diphenylphenyl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 158211170
4-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]benzonitrile
CID 140922408
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene
CID 122464854

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),2,4,6,8,10,14,16,18,20,23-undecaene?
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),2,4,6,8,10,14,16,18,20,23-undecaene (CID 122464780) is 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.
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),2,4,6,8,10,14,16,18,20,23-undecaene?
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),2,4,6,8,10,14,16,18,20,23-undecaene is CC1(C)c2cc3ccccc3cc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
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),2,4,6,8,10,14,16,18,20,23-undecaene?
The InChIKey is LNZGGOYIEPTFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N/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/h3-27H,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),2,4,6,8,10,14,16,18,20,23-undecaene?
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 has a molecular weight of 561.73 g/mol, XLogP of 11.58, 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),2,4,6,8,10,14,16,18,20,23-undecaene is sourced from PubChem (CID 122464780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).