8-methyl-8,14,14-triphenyl-4,18-dipyridin-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

C48H34N4 — CID 160647194

IUPAC8-methyl-8,14,14-triphenyl-4,18-dipyridin-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
SMILESCC1(c2ccccc2)c2ccc(-c3ccccn3)nc2N2c3cc(-c4ccccn4)ccc3C(c3ccccc3)(c3ccccc3)c3cccc1c32
InChIInChI=1S/C48H34N4/c1-47(34-16-5-2-6-17-34)38-22-15-23-39-45(38)52(46-40(47)28-29-43(51-46)42-25-12-14-31-50-42)44-32-33(41-24-11-13-30-49-41)26-27-37(44)48(39,35-18-7-3-8-19-35)36-20-9-4-10-21-36/h2-32H,1H3
InChIKeyODKQEPGUCXMPTC-UHFFFAOYSA-N
MW666.83 g/mol
LogP11.04
Rot. Bonds5

About 8-methyl-8,14,14-triphenyl-4,18-dipyridin-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

8-methyl-8,14,14-triphenyl-4,18-dipyridin-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (PubChem CID 160647194) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 8-methyl-8,14,14-triphenyl-4,18-dipyridin-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.

Molecular Properties

Compound Name8-methyl-8,14,14-triphenyl-4,18-dipyridin-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
PubChem CID160647194
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name8-methyl-8,14,14-triphenyl-4,18-dipyridin-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
SMILESCC1(c2ccccc2)c2ccc(-c3ccccn3)nc2N2c3cc(-c4ccccn4)ccc3C(c3ccccc3)(c3ccccc3)c3cccc1c32
InChIInChI=1S/C48H34N4/c1-47(34-16-5-2-6-17-34)38-22-15-23-39-45(38)52(46-40(47)28-29-43(51-46)42-25-12-14-31-50-42)44-32-33(41-24-11-13-30-49-41)26-27-37(44)48(39,35-18-7-3-8-19-35)36-20-9-4-10-21-36/h2-32H,1H3
InChIKeyODKQEPGUCXMPTC-UHFFFAOYSA-N
XLogP11.04
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.83
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-methyl-8,14,14-triphenyl-4,18-dipyridin-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene with MolForge

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Related Compounds

4,8,8,14,14,18-hexakis-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 140932144
8,8,14,14-tetramethyl-4,18-diphenyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 140926242
2-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline
CID 171732305
9,9,10-triphenyl-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)acridin-3-amine
CID 121259026
13-phenyl-13-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 154028258
8,8,13,13-tetramethyl-5-phenyl-3-(3-pyridin-2-ylphenyl)indeno[1,2-a]acridine
CID 118668352
8,8-dimethyl-6-[(14-methyl-8,8-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-14-yl)methyl]-14,14-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene
CID 134560784
8,8,14,14-tetramethyl-4-(4-methylphenyl)-18-phenyl-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 140926258
CID 157287751
CID 157287751
8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine
CID 118668369
3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
CID 121259013
[9,9-diphenyl-7-[3-[3-[2-phenyl-6-(3-pyridin-2-ylphenyl)-4-pyridinyl]phenyl]phenyl]fluoren-2-yl]-trimethylsilane
CID 177088025

Frequently Asked Questions

What is the IUPAC name of 8-methyl-8,14,14-triphenyl-4,18-dipyridin-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The IUPAC name of 8-methyl-8,14,14-triphenyl-4,18-dipyridin-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (CID 160647194) is 8-methyl-8,14,14-triphenyl-4,18-dipyridin-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.
What is the SMILES notation for 8-methyl-8,14,14-triphenyl-4,18-dipyridin-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The canonical SMILES for 8-methyl-8,14,14-triphenyl-4,18-dipyridin-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is CC1(c2ccccc2)c2ccc(-c3ccccn3)nc2N2c3cc(-c4ccccn4)ccc3C(c3ccccc3)(c3ccccc3)c3cccc1c32.
What is the InChIKey of 8-methyl-8,14,14-triphenyl-4,18-dipyridin-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The InChIKey is ODKQEPGUCXMPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c1-47(34-16-5-2-6-17-34)38-22-15-23-39-45(38)52(46-40(47)28-29-43(51-46)42-25-12-14-31-50-42)44-32-33(41-24-11-13-30-49-41)26-27-37(44)48(39,35-18-7-3-8-19-35)36-20-9-4-10-21-36/h2-32H,1H3.
What are the key properties of 8-methyl-8,14,14-triphenyl-4,18-dipyridin-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
8-methyl-8,14,14-triphenyl-4,18-dipyridin-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene has a molecular weight of 666.83 g/mol, XLogP of 11.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8,14,14-triphenyl-4,18-dipyridin-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is sourced from PubChem (CID 160647194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).