22-(5,6-dihydrophenanthridin-6-yl)-14,14-dimethyl-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene

C36H28N2 — CID 129310702

IUPAC22-(5,6-dihydrophenanthridin-6-yl)-14,14-dimethyl-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene
SMILESCC1(C)c2ccccc2-c2ccccc2-c2c1c1ccccc1n2C1Nc2ccccc2-c2ccccc21
InChIInChI=1S/C36H28N2/c1-36(2)30-20-10-7-15-25(30)23-13-3-5-17-27(23)34-33(36)29-19-9-12-22-32(29)38(34)35-28-18-6-4-14-24(28)26-16-8-11-21-31(26)37-35/h3-22,35,37H,1-2H3
InChIKeyFXMGHQKABKMEGJ-UHFFFAOYSA-N
MW488.63 g/mol
LogP9.25
Rot. Bonds1

About 22-(5,6-dihydrophenanthridin-6-yl)-14,14-dimethyl-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene

22-(5,6-dihydrophenanthridin-6-yl)-14,14-dimethyl-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene (PubChem CID 129310702) has the molecular formula C36H28N2 and a molecular weight of 488.63 g/mol. Its IUPAC name is 22-(5,6-dihydrophenanthridin-6-yl)-14,14-dimethyl-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene.

Molecular Properties

Compound Name22-(5,6-dihydrophenanthridin-6-yl)-14,14-dimethyl-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene
PubChem CID129310702
Molecular FormulaC36H28N2
Molecular Weight488.63 g/mol
Exact Mass488.23
IUPAC Name22-(5,6-dihydrophenanthridin-6-yl)-14,14-dimethyl-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene
SMILESCC1(C)c2ccccc2-c2ccccc2-c2c1c1ccccc1n2C1Nc2ccccc2-c2ccccc21
InChIInChI=1S/C36H28N2/c1-36(2)30-20-10-7-15-25(30)23-13-3-5-17-27(23)34-33(36)29-19-9-12-22-32(29)38(34)35-28-18-6-4-14-24(28)26-16-8-11-21-31(26)37-35/h3-22,35,37H,1-2H3
InChIKeyFXMGHQKABKMEGJ-UHFFFAOYSA-N
XLogP9.25
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 59.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 22-(5,6-dihydrophenanthridin-6-yl)-14,14-dimethyl-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene with MolForge

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Related Compounds

14,14-dimethyl-22-(3,4,5,6-tetrahydrophenanthridin-6-yl)-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2(7),3,8,10,12,16,18,20-nonaene
CID 129306466
10,10-dimethyl-5-(4-methylphenyl)indeno[1,2-b]indole
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10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole
CID 121298587
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CID 146185210
1-methyl-3-(4-phenylphenyl)-2,10,12-triazaoctacyclo[17.12.1.02,11.04,9.012,32.013,18.020,25.026,31]dotriaconta-4,6,8,13,15,17,19(32),20,22,24,26,28,30-tridecaene
CID 129311271
2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile
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CID 144943011
5-[2-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-3,4-dihydroindeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole
CID 166945452
11,12,12-trimethyl-11H-indeno[2,1-a]fluorene
CID 155761835
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CID 141433409
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole
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Frequently Asked Questions

What is the IUPAC name of 22-(5,6-dihydrophenanthridin-6-yl)-14,14-dimethyl-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene?
The IUPAC name of 22-(5,6-dihydrophenanthridin-6-yl)-14,14-dimethyl-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene (CID 129310702) is 22-(5,6-dihydrophenanthridin-6-yl)-14,14-dimethyl-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene.
What is the SMILES notation for 22-(5,6-dihydrophenanthridin-6-yl)-14,14-dimethyl-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene?
The canonical SMILES for 22-(5,6-dihydrophenanthridin-6-yl)-14,14-dimethyl-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene is CC1(C)c2ccccc2-c2ccccc2-c2c1c1ccccc1n2C1Nc2ccccc2-c2ccccc21.
What is the InChIKey of 22-(5,6-dihydrophenanthridin-6-yl)-14,14-dimethyl-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene?
The InChIKey is FXMGHQKABKMEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2/c1-36(2)30-20-10-7-15-25(30)23-13-3-5-17-27(23)34-33(36)29-19-9-12-22-32(29)38(34)35-28-18-6-4-14-24(28)26-16-8-11-21-31(26)37-35/h3-22,35,37H,1-2H3.
What are the key properties of 22-(5,6-dihydrophenanthridin-6-yl)-14,14-dimethyl-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene?
22-(5,6-dihydrophenanthridin-6-yl)-14,14-dimethyl-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene has a molecular weight of 488.63 g/mol, XLogP of 9.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(5,6-dihydrophenanthridin-6-yl)-14,14-dimethyl-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene is sourced from PubChem (CID 129310702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).