11,11-dimethyl-6,7,8,14,15,16-hexakis-phenyl-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene

C55H40N2 — CID 71142605

IUPAC11,11-dimethyl-6,7,8,14,15,16-hexakis-phenyl-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene
SMILESCC1(C)c2c(ccc3c2c(-c2ccccc2)c(-c2ccccc2)n3-c2ccccc2)-c2ccc3c(c(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)c21
InChIInChI=1S/C55H40N2/c1-55(2)51-43(33-35-45-49(51)47(37-21-9-3-10-22-37)53(39-25-13-5-14-26-39)56(45)41-29-17-7-18-30-41)44-34-36-46-50(52(44)55)48(38-23-11-4-12-24-38)54(40-27-15-6-16-28-40)57(46)42-31-19-8-20-32-42/h3-36H,1-2H3
InChIKeyMPLMNGAFWFPULD-UHFFFAOYSA-N
MW728.94 g/mol
LogP14.55
Rot. Bonds6

About 11,11-dimethyl-6,7,8,14,15,16-hexakis-phenyl-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene

11,11-dimethyl-6,7,8,14,15,16-hexakis-phenyl-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene (PubChem CID 71142605) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is 11,11-dimethyl-6,7,8,14,15,16-hexakis-phenyl-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene.

Molecular Properties

Compound Name11,11-dimethyl-6,7,8,14,15,16-hexakis-phenyl-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene
PubChem CID71142605
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC Name11,11-dimethyl-6,7,8,14,15,16-hexakis-phenyl-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene
SMILESCC1(C)c2c(ccc3c2c(-c2ccccc2)c(-c2ccccc2)n3-c2ccccc2)-c2ccc3c(c(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)c21
InChIInChI=1S/C55H40N2/c1-55(2)51-43(33-35-45-49(51)47(37-21-9-3-10-22-37)53(39-25-13-5-14-26-39)56(45)41-29-17-7-18-30-41)44-34-36-46-50(52(44)55)48(38-23-11-4-12-24-38)54(40-27-15-6-16-28-40)57(46)42-31-19-8-20-32-42/h3-36H,1-2H3
InChIKeyMPLMNGAFWFPULD-UHFFFAOYSA-N
XLogP14.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11,11-dimethyl-6,7,8,14,15,16-hexakis-phenyl-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene with MolForge

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Related Compounds

11,11-dimethyl-7,8,14,15-tetraphenyl-6,16-bis(4-phenylphenyl)-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene
CID 71142596
15,15-dimethyl-6-phenyl-24-(4-phenylphenyl)-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 134313392
2,12-bis(9,9-dimethylfluoren-2-yl)-6,7,8,16,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
CID 58131870
9,9-dimethyl-20,21,22-triphenyl-15,20-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.019,23.025,29.014,30]triaconta-1(29),3,5,7,10(30),11,13,16(24),17,19(23),21,25,27-tridecaene
CID 170544142
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(1,2,3-triphenylbenzo[e]indol-7-yl)phenyl]fluoren-2-amine
CID 134395151
11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
CID 71142575
N-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 134396685
15,15-dimethyl-24-phenyl-11-(4-phenylphenyl)-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 166002311
11,11-dimethyl-3,7-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene
CID 144609145
1-bromo-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121302697
1-phenyl-2-[4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)phenyl]benzimidazole
CID 58142510
15,15-dimethyl-11-phenyl-7-(9-phenylcarbazol-3-yl)-19-(3-phenylphenyl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;15,15-dimethyl-6-(3-phenylphenyl)-24-(4-phenylphenyl)-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 158967628

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-6,7,8,14,15,16-hexakis-phenyl-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene?
The IUPAC name of 11,11-dimethyl-6,7,8,14,15,16-hexakis-phenyl-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene (CID 71142605) is 11,11-dimethyl-6,7,8,14,15,16-hexakis-phenyl-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene.
What is the SMILES notation for 11,11-dimethyl-6,7,8,14,15,16-hexakis-phenyl-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene?
The canonical SMILES for 11,11-dimethyl-6,7,8,14,15,16-hexakis-phenyl-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene is CC1(C)c2c(ccc3c2c(-c2ccccc2)c(-c2ccccc2)n3-c2ccccc2)-c2ccc3c(c(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)c21.
What is the InChIKey of 11,11-dimethyl-6,7,8,14,15,16-hexakis-phenyl-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene?
The InChIKey is MPLMNGAFWFPULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-55(2)51-43(33-35-45-49(51)47(37-21-9-3-10-22-37)53(39-25-13-5-14-26-39)56(45)41-29-17-7-18-30-41)44-34-36-46-50(52(44)55)48(38-23-11-4-12-24-38)54(40-27-15-6-16-28-40)57(46)42-31-19-8-20-32-42/h3-36H,1-2H3.
What are the key properties of 11,11-dimethyl-6,7,8,14,15,16-hexakis-phenyl-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene?
11,11-dimethyl-6,7,8,14,15,16-hexakis-phenyl-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene has a molecular weight of 728.94 g/mol, XLogP of 14.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-6,7,8,14,15,16-hexakis-phenyl-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene is sourced from PubChem (CID 71142605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).