16-isoquinolin-6-yl-12,12-dimethyl-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

C34H24N2 — CID 122464267

IUPAC16-isoquinolin-6-yl-12,12-dimethyl-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
SMILESCC1(C)c2cc3ccccc3cc2-c2cc3c4ccccc4n(-c4ccc5cnccc5c4)c3cc21
InChIInChI=1S/C34H24N2/c1-34(2)30-17-22-8-4-3-7-21(22)16-27(30)28-18-29-26-9-5-6-10-32(26)36(33(29)19-31(28)34)25-12-11-24-20-35-14-13-23(24)15-25/h3-20H,1-2H3
InChIKeyZEEDXGJQQPUYTO-UHFFFAOYSA-N
MW460.58 g/mol
LogP8.79
Rot. Bonds1

About 16-isoquinolin-6-yl-12,12-dimethyl-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

16-isoquinolin-6-yl-12,12-dimethyl-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 (PubChem CID 122464267) has the molecular formula C34H24N2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 16-isoquinolin-6-yl-12,12-dimethyl-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.

Molecular Properties

Compound Name16-isoquinolin-6-yl-12,12-dimethyl-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
PubChem CID122464267
Molecular FormulaC34H24N2
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC Name16-isoquinolin-6-yl-12,12-dimethyl-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
SMILESCC1(C)c2cc3ccccc3cc2-c2cc3c4ccccc4n(-c4ccc5cnccc5c4)c3cc21
InChIInChI=1S/C34H24N2/c1-34(2)30-17-22-8-4-3-7-21(22)16-27(30)28-18-29-26-9-5-6-10-32(26)36(33(29)19-31(28)34)25-12-11-24-20-35-14-13-23(24)15-25/h3-20H,1-2H3
InChIKeyZEEDXGJQQPUYTO-UHFFFAOYSA-N
XLogP8.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 16-isoquinolin-6-yl-12,12-dimethyl-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 with MolForge

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Related Compounds

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-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074
7,7-dimethyl-5-pyridin-4-ylindeno[2,1-b]carbazole
CID 66805075
9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole
CID 59236649
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 166563534
CID 134551673
CID 134551673
16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethyl-6-phenyl-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 139365739
5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126632822
15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492385
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
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461

Frequently Asked Questions

What is the IUPAC name of 16-isoquinolin-6-yl-12,12-dimethyl-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?
The IUPAC name of 16-isoquinolin-6-yl-12,12-dimethyl-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 122464267) is 16-isoquinolin-6-yl-12,12-dimethyl-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.
What is the SMILES notation for 16-isoquinolin-6-yl-12,12-dimethyl-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?
The canonical SMILES for 16-isoquinolin-6-yl-12,12-dimethyl-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 is CC1(C)c2cc3ccccc3cc2-c2cc3c4ccccc4n(-c4ccc5cnccc5c4)c3cc21.
What is the InChIKey of 16-isoquinolin-6-yl-12,12-dimethyl-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?
The InChIKey is ZEEDXGJQQPUYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2/c1-34(2)30-17-22-8-4-3-7-21(22)16-27(30)28-18-29-26-9-5-6-10-32(26)36(33(29)19-31(28)34)25-12-11-24-20-35-14-13-23(24)15-25/h3-20H,1-2H3.
What are the key properties of 16-isoquinolin-6-yl-12,12-dimethyl-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?
16-isoquinolin-6-yl-12,12-dimethyl-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 has a molecular weight of 460.58 g/mol, XLogP of 8.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-isoquinolin-6-yl-12,12-dimethyl-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 is sourced from PubChem (CID 122464267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).