12,12-dimethyl-8-phenyl-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene

C27H20N2 — CID 164748916

IUPAC12,12-dimethyl-8-phenyl-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
SMILESCC1(C)c2c(ncc3ccc(-c4ccccc4)cc23)-c2ccnc3cccc1c23
InChIInChI=1S/C27H20N2/c1-27(2)22-9-6-10-23-24(22)20(13-14-28-23)26-25(27)21-15-18(11-12-19(21)16-29-26)17-7-4-3-5-8-17/h3-16H,1-2H3
InChIKeyGGUYVVXXTOTEGI-UHFFFAOYSA-N
MW372.47 g/mol
LogP6.76
Rot. Bonds1

About 12,12-dimethyl-8-phenyl-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene

12,12-dimethyl-8-phenyl-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene (PubChem CID 164748916) has the molecular formula C27H20N2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 12,12-dimethyl-8-phenyl-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene.

Molecular Properties

Compound Name12,12-dimethyl-8-phenyl-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
PubChem CID164748916
Molecular FormulaC27H20N2
Molecular Weight372.47 g/mol
Exact Mass372.16
IUPAC Name12,12-dimethyl-8-phenyl-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
SMILESCC1(C)c2c(ncc3ccc(-c4ccccc4)cc23)-c2ccnc3cccc1c23
InChIInChI=1S/C27H20N2/c1-27(2)22-9-6-10-23-24(22)20(13-14-28-23)26-25(27)21-15-18(11-12-19(21)16-29-26)17-7-4-3-5-8-17/h3-16H,1-2H3
InChIKeyGGUYVVXXTOTEGI-UHFFFAOYSA-N
XLogP6.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12,12-dimethyl-8-phenyl-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene with MolForge

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Related Compounds

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CID 164814707
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4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
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2-[4-(16,16-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline
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11,11-dimethyl-10-[4-(7-pyrazin-2-yltriphenylen-2-yl)phenyl]indeno[1,2-b]quinoline
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11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine
CID 169280503
4-[4-[3,5-bis[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline
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9-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]acridine
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12,12-dideuterio-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
CID 164748227
4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][1,5]naphthyridine;2-phenanthren-3-yl-4-(3-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165096089

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-8-phenyl-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?
The IUPAC name of 12,12-dimethyl-8-phenyl-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene (CID 164748916) is 12,12-dimethyl-8-phenyl-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene.
What is the SMILES notation for 12,12-dimethyl-8-phenyl-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?
The canonical SMILES for 12,12-dimethyl-8-phenyl-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene is CC1(C)c2c(ncc3ccc(-c4ccccc4)cc23)-c2ccnc3cccc1c23.
What is the InChIKey of 12,12-dimethyl-8-phenyl-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?
The InChIKey is GGUYVVXXTOTEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2/c1-27(2)22-9-6-10-23-24(22)20(13-14-28-23)26-25(27)21-15-18(11-12-19(21)16-29-26)17-7-4-3-5-8-17/h3-16H,1-2H3.
What are the key properties of 12,12-dimethyl-8-phenyl-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?
12,12-dimethyl-8-phenyl-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene has a molecular weight of 372.47 g/mol, XLogP of 6.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-8-phenyl-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene is sourced from PubChem (CID 164748916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).