14,14-dimethyl-9-[5-(2-pyridin-2-yl-6-pyridin-3-yl-4-pyridinyl)-2-pyridinyl]-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

C45H31N5 — CID 122464904

IUPAC14,14-dimethyl-9-[5-(2-pyridin-2-yl-6-pyridin-3-yl-4-pyridinyl)-2-pyridinyl]-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
SMILESCC1(C)c2ccc3c(c2-c2ccc4ccccc4c21)c1ccccc1n3-c1ccc(-c2cc(-c3cccnc3)nc(-c3ccccn3)c2)cn1
InChIInChI=1S/C45H31N5/c1-45(2)35-19-20-40-43(42(35)34-18-16-28-10-3-4-12-32(28)44(34)45)33-13-5-6-15-39(33)50(40)41-21-17-29(27-48-41)31-24-37(30-11-9-22-46-26-30)49-38(25-31)36-14-7-8-23-47-36/h3-27H,1-2H3
InChIKeyXEFMDNATLXFDDR-UHFFFAOYSA-N
MW641.78 g/mol
LogP10.82
Rot. Bonds4

About 14,14-dimethyl-9-[5-(2-pyridin-2-yl-6-pyridin-3-yl-4-pyridinyl)-2-pyridinyl]-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

14,14-dimethyl-9-[5-(2-pyridin-2-yl-6-pyridin-3-yl-4-pyridinyl)-2-pyridinyl]-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (PubChem CID 122464904) has the molecular formula C45H31N5 and a molecular weight of 641.78 g/mol. Its IUPAC name is 14,14-dimethyl-9-[5-(2-pyridin-2-yl-6-pyridin-3-yl-4-pyridinyl)-2-pyridinyl]-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.

Molecular Properties

Compound Name14,14-dimethyl-9-[5-(2-pyridin-2-yl-6-pyridin-3-yl-4-pyridinyl)-2-pyridinyl]-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
PubChem CID122464904
Molecular FormulaC45H31N5
Molecular Weight641.78 g/mol
Exact Mass641.26
IUPAC Name14,14-dimethyl-9-[5-(2-pyridin-2-yl-6-pyridin-3-yl-4-pyridinyl)-2-pyridinyl]-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
SMILESCC1(C)c2ccc3c(c2-c2ccc4ccccc4c21)c1ccccc1n3-c1ccc(-c2cc(-c3cccnc3)nc(-c3ccccn3)c2)cn1
InChIInChI=1S/C45H31N5/c1-45(2)35-19-20-40-43(42(35)34-18-16-28-10-3-4-12-32(28)44(34)45)33-13-5-6-15-39(33)50(40)41-21-17-29(27-48-41)31-24-37(30-11-9-22-46-26-30)49-38(25-31)36-14-7-8-23-47-36/h3-27H,1-2H3
InChIKeyXEFMDNATLXFDDR-UHFFFAOYSA-N
XLogP10.82
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.78
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14,14-dimethyl-9-[5-(2-pyridin-2-yl-6-pyridin-3-yl-4-pyridinyl)-2-pyridinyl]-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene with MolForge

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Related Compounds

7-(5-pyridin-3-yl-2-pyridinyl)benzo[c]carbazole
CID 90250027
9-[5-[2-(10-naphthalen-2-ylanthracen-9-yl)-6-pyridin-3-yl-4-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole;5-[5-[2-(10-phenylanthracen-9-yl)-6-pyridin-2-yl-4-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 160544614
5-[5-[4-(4-methylnaphthalen-1-yl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;1-[6-pyridin-2-yl-4-(6-pyrido[3,4-b]indol-9-yl-3-pyridinyl)-2-pyridinyl]naphthalene-2-carbonitrile
CID 159924749
9-[5-[4-(3-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 59609470
4-[4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168776985
9-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 122464817
6-(6-pyridin-2-yl-2-pyridinyl)-3-(6-pyridin-3-yl-2-pyridinyl)pyrrolo[2,3-c]carbazole
CID 123972055
9-[5-(4-isoquinolin-4-yl-6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyrido[2,3-b]indole
CID 59609449
14,14-dimethyl-9-[3-(1,10-phenanthrolin-2-yl)phenyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 90324728
4-[3-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[3-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 161311326
4-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168776871
2,6-dipyridin-2-yl-4-[4-(3-pyridin-3-ylphenyl)phenyl]pyridine
CID 126730922

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-9-[5-(2-pyridin-2-yl-6-pyridin-3-yl-4-pyridinyl)-2-pyridinyl]-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
The IUPAC name of 14,14-dimethyl-9-[5-(2-pyridin-2-yl-6-pyridin-3-yl-4-pyridinyl)-2-pyridinyl]-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (CID 122464904) is 14,14-dimethyl-9-[5-(2-pyridin-2-yl-6-pyridin-3-yl-4-pyridinyl)-2-pyridinyl]-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.
What is the SMILES notation for 14,14-dimethyl-9-[5-(2-pyridin-2-yl-6-pyridin-3-yl-4-pyridinyl)-2-pyridinyl]-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
The canonical SMILES for 14,14-dimethyl-9-[5-(2-pyridin-2-yl-6-pyridin-3-yl-4-pyridinyl)-2-pyridinyl]-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is CC1(C)c2ccc3c(c2-c2ccc4ccccc4c21)c1ccccc1n3-c1ccc(-c2cc(-c3cccnc3)nc(-c3ccccn3)c2)cn1.
What is the InChIKey of 14,14-dimethyl-9-[5-(2-pyridin-2-yl-6-pyridin-3-yl-4-pyridinyl)-2-pyridinyl]-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
The InChIKey is XEFMDNATLXFDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N5/c1-45(2)35-19-20-40-43(42(35)34-18-16-28-10-3-4-12-32(28)44(34)45)33-13-5-6-15-39(33)50(40)41-21-17-29(27-48-41)31-24-37(30-11-9-22-46-26-30)49-38(25-31)36-14-7-8-23-47-36/h3-27H,1-2H3.
What are the key properties of 14,14-dimethyl-9-[5-(2-pyridin-2-yl-6-pyridin-3-yl-4-pyridinyl)-2-pyridinyl]-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
14,14-dimethyl-9-[5-(2-pyridin-2-yl-6-pyridin-3-yl-4-pyridinyl)-2-pyridinyl]-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene has a molecular weight of 641.78 g/mol, XLogP of 10.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-9-[5-(2-pyridin-2-yl-6-pyridin-3-yl-4-pyridinyl)-2-pyridinyl]-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 122464904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).