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

C36H32N2 — CID 129306466

IUPAC14,14-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
SMILESCC1(C)c2ccccc2C2=C(C=CCC2)c2c1c1ccccc1n2C1NC2=C(C=CCC2)c2ccccc21
InChIInChI=1S/C36H32N2/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/h4-10,12,14-20,22,35,37H,3,11,13,21H2,1-2H3
InChIKeyGVKAEQZOUFAGHJ-UHFFFAOYSA-N
MW492.67 g/mol
LogP8.75
Rot. Bonds1

About 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

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 (PubChem CID 129306466) has the molecular formula C36H32N2 and a molecular weight of 492.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14,14-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
PubChem CID129306466
Molecular FormulaC36H32N2
Molecular Weight492.67 g/mol
Exact Mass492.26
IUPAC Name14,14-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
SMILESCC1(C)c2ccccc2C2=C(C=CCC2)c2c1c1ccccc1n2C1NC2=C(C=CCC2)c2ccccc21
InChIInChI=1S/C36H32N2/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/h4-10,12,14-20,22,35,37H,3,11,13,21H2,1-2H3
InChIKeyGVKAEQZOUFAGHJ-UHFFFAOYSA-N
XLogP8.75
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.67
LogP ≤ 58.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
5-[2-[2-[(9aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]cyclohexa-1,3-dien-1-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 126695741
9,9-dimethyl-6-[2-(2-methylphenyl)phenyl]-1,2,5,6-tetrahydrofluorene
CID 156826986
8-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),5,9(14),12,16,18,20-octaene
CID 129311427
10,10-dimethyl-5-(4-methylphenyl)indeno[1,2-b]indole
CID 144549130
10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole
CID 121298587
9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 163950045
17-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,13,15,17,19(23),20-octaene
CID 145027931
14,14-dimethyl-9-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16-octaene
CID 145064314
2-(10,10-dimethylindeno[1,2-b]indol-5-yl)benzene-1,3-dicarbonitrile
CID 145009985
3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole
CID 70913054
9-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-10-(4-fluorophenyl)-2-naphthalen-1-ylanthracene
CID 89139270

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2C2=C(C=CCC2)c2c1c1ccccc1n2C1NC2=C(C=CCC2)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is GVKAEQZOUFAGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2/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/h4-10,12,14-20,22,35,37H,3,11,13,21H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 492.67 g/mol, XLogP of 8.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129306466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).