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

C36H33N4- — CID 163950045

IUPAC9-(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
SMILESCC1(C)C2=C(C=CCC2)c2c1ccc1c2c2ccccc2n1C1NC(c2ccccc2)[N-]C(c2ccccc2)N1
InChIInChI=1S/C36H33N4/c1-36(2)27-19-11-9-17-25(27)31-28(36)21-22-30-32(31)26-18-10-12-20-29(26)40(30)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24/h3-10,12-18,20-22,33-35,38-39H,11,19H2,1-2H3/q-1
InChIKeyRYNGETKROBXFDW-UHFFFAOYSA-N
MW521.69 g/mol
LogP8.61
Rot. Bonds3

About 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

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 (PubChem CID 163950045) has the molecular formula C36H33N4- and a molecular weight of 521.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID163950045
Molecular FormulaC36H33N4-
Molecular Weight521.69 g/mol
Exact Mass521.27
IUPAC Name9-(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
SMILESCC1(C)C2=C(C=CCC2)c2c1ccc1c2c2ccccc2n1C1NC(c2ccccc2)[N-]C(c2ccccc2)N1
InChIInChI=1S/C36H33N4/c1-36(2)27-19-11-9-17-25(27)31-28(36)21-22-30-32(31)26-18-10-12-20-29(26)40(30)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24/h3-10,12-18,20-22,33-35,38-39H,11,19H2,1-2H3/q-1
InChIKeyRYNGETKROBXFDW-UHFFFAOYSA-N
XLogP8.61
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.69
LogP ≤ 58.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohex-2-yl)cyclohexa-1,5-dien-1-yl]-3-phenyl-3,4-dihydrocarbazole
CID 145085544
N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
CID 89196839
7,7-dimethyl-5-(4-methylphenyl)-8,9-dihydroindeno[2,1-b]carbazole
CID 170390566
3-(11,11-dimethyl-1,2-dihydrobenzo[b]fluoren-5-yl)-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3-diazet-3-ium
CID 167195537
2-cyclohexa-1,5-dien-1-yl-5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 145067902
9-cyclohexa-1,5-dien-1-yl-5-[9-[2-[4-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazol-4-yl]-2-phenylcarbazole
CID 174271499
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
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-14-phenyl-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 166923093
5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole
CID 166914013
16-[4-(1,2-dihydropyridin-2-yl)phenyl]-14,14-dimethyl-1-azapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,15,17,19,21-nonaene
CID 129310561
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole
CID 129311945

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)C2=C(C=CCC2)c2c1ccc1c2c2ccccc2n1C1NC(c2ccccc2)[N-]C(c2ccccc2)N1.
What is the InChIKey of 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?
The InChIKey is RYNGETKROBXFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N4/c1-36(2)27-19-11-9-17-25(27)31-28(36)21-22-30-32(31)26-18-10-12-20-29(26)40(30)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24/h3-10,12-18,20-22,33-35,38-39H,11,19H2,1-2H3/q-1.
What are the key properties of 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?
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 has a molecular weight of 521.69 g/mol, XLogP of 8.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163950045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).