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

C35H25N — CID 122464085

IUPAC12,12-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
SMILESCC1(C)c2cc3ccccc3cc2-c2cc3c4ccccc4n(-c4ccc5ccccc5c4)c3cc21
InChIInChI=1S/C35H25N/c1-35(2)31-19-25-12-6-5-11-24(25)18-28(31)29-20-30-27-13-7-8-14-33(27)36(34(30)21-32(29)35)26-16-15-22-9-3-4-10-23(22)17-26/h3-21H,1-2H3
InChIKeyTYSWPGZCWMCONU-UHFFFAOYSA-N
MW459.59 g/mol
LogP9.40
Rot. Bonds1

About 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

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 (PubChem CID 122464085) has the molecular formula C35H25N and a molecular weight of 459.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12,12-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
PubChem CID122464085
Molecular FormulaC35H25N
Molecular Weight459.59 g/mol
Exact Mass459.20
IUPAC Name12,12-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
SMILESCC1(C)c2cc3ccccc3cc2-c2cc3c4ccccc4n(-c4ccc5ccccc5c4)c3cc21
InChIInChI=1S/C35H25N/c1-35(2)31-19-25-12-6-5-11-24(25)18-28(31)29-20-30-27-13-7-8-14-33(27)36(34(30)21-32(29)35)26-16-15-22-9-3-4-10-23(22)17-26/h3-21H,1-2H3
InChIKeyTYSWPGZCWMCONU-UHFFFAOYSA-N
XLogP9.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

3-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074
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
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
CID 134551673
CID 134551673
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
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312240
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 166563534
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
11,11-dimethyl-5-(9-naphthalen-2-ylcarbazol-4-yl)indeno[1,2-b]carbazole
CID 118502163
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole
CID 140907331

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc3ccccc3cc2-c2cc3c4ccccc4n(-c4ccc5ccccc5c4)c3cc21.
What is the InChIKey of 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?
The InChIKey is TYSWPGZCWMCONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N/c1-35(2)31-19-25-12-6-5-11-24(25)18-28(31)29-20-30-27-13-7-8-14-33(27)36(34(30)21-32(29)35)26-16-15-22-9-3-4-10-23(22)17-26/h3-21H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 459.59 g/mol, XLogP of 9.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122464085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).