24-cyclohexa-2,4-dien-1-yl-11-(4,6-diphenyl-2-pyridinyl)-24-methyl-15-oxa-11-azaheptacyclo[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

C49H34N2O — CID 163830930

IUPAC24-cyclohexa-2,4-dien-1-yl-11-(4,6-diphenyl-2-pyridinyl)-24-methyl-15-oxa-11-azaheptacyclo[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
SMILESCC1(C2C=CC=CC2)c2ccccc2-c2c1ccc1c2oc2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C49H34N2O/c1-49(34-19-9-4-10-20-34)40-23-13-11-22-37(40)47-41(49)26-25-36-39-29-38-35-21-12-14-24-43(35)51(44(38)30-45(39)52-48(36)47)46-28-33(31-15-5-2-6-16-31)27-42(50-46)32-17-7-3-8-18-32/h2-19,21-30,34H,20H2,1H3
InChIKeyODOODTURIYRWNK-UHFFFAOYSA-N
MW666.82 g/mol
LogP12.83
Rot. Bonds4

About 24-cyclohexa-2,4-dien-1-yl-11-(4,6-diphenyl-2-pyridinyl)-24-methyl-15-oxa-11-azaheptacyclo[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

24-cyclohexa-2,4-dien-1-yl-11-(4,6-diphenyl-2-pyridinyl)-24-methyl-15-oxa-11-azaheptacyclo[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 (PubChem CID 163830930) has the molecular formula C49H34N2O and a molecular weight of 666.82 g/mol. Its IUPAC name is 24-cyclohexa-2,4-dien-1-yl-11-(4,6-diphenyl-2-pyridinyl)-24-methyl-15-oxa-11-azaheptacyclo[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.

Molecular Properties

Compound Name24-cyclohexa-2,4-dien-1-yl-11-(4,6-diphenyl-2-pyridinyl)-24-methyl-15-oxa-11-azaheptacyclo[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
PubChem CID163830930
Molecular FormulaC49H34N2O
Molecular Weight666.82 g/mol
Exact Mass666.27
IUPAC Name24-cyclohexa-2,4-dien-1-yl-11-(4,6-diphenyl-2-pyridinyl)-24-methyl-15-oxa-11-azaheptacyclo[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
SMILESCC1(C2C=CC=CC2)c2ccccc2-c2c1ccc1c2oc2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C49H34N2O/c1-49(34-19-9-4-10-20-34)40-23-13-11-22-37(40)47-41(49)26-25-36-39-29-38-35-21-12-14-24-43(35)51(44(38)30-45(39)52-48(36)47)46-28-33(31-15-5-2-6-16-31)27-42(50-46)32-17-7-3-8-18-32/h2-19,21-30,34H,20H2,1H3
InChIKeyODOODTURIYRWNK-UHFFFAOYSA-N
XLogP12.83
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.82
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 24-cyclohexa-2,4-dien-1-yl-11-(4,6-diphenyl-2-pyridinyl)-24-methyl-15-oxa-11-azaheptacyclo[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 with MolForge

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Related Compounds

11-cyclohexa-2,4-dien-1-yl-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 163688380
11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole
CID 118154044
2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 118508812
7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole
CID 130209425
5-(6-dibenzofuran-1-yl-4-phenyl-2-pyridinyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 130327268
6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
CID 134252589
5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 118154014
7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 130333620
3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]
CID 118104042
5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole
CID 134447579
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 71286771
7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 70851639

Frequently Asked Questions

What is the IUPAC name of 24-cyclohexa-2,4-dien-1-yl-11-(4,6-diphenyl-2-pyridinyl)-24-methyl-15-oxa-11-azaheptacyclo[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?
The IUPAC name of 24-cyclohexa-2,4-dien-1-yl-11-(4,6-diphenyl-2-pyridinyl)-24-methyl-15-oxa-11-azaheptacyclo[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 163830930) is 24-cyclohexa-2,4-dien-1-yl-11-(4,6-diphenyl-2-pyridinyl)-24-methyl-15-oxa-11-azaheptacyclo[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.
What is the SMILES notation for 24-cyclohexa-2,4-dien-1-yl-11-(4,6-diphenyl-2-pyridinyl)-24-methyl-15-oxa-11-azaheptacyclo[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?
The canonical SMILES for 24-cyclohexa-2,4-dien-1-yl-11-(4,6-diphenyl-2-pyridinyl)-24-methyl-15-oxa-11-azaheptacyclo[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 is CC1(C2C=CC=CC2)c2ccccc2-c2c1ccc1c2oc2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 24-cyclohexa-2,4-dien-1-yl-11-(4,6-diphenyl-2-pyridinyl)-24-methyl-15-oxa-11-azaheptacyclo[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?
The InChIKey is ODOODTURIYRWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O/c1-49(34-19-9-4-10-20-34)40-23-13-11-22-37(40)47-41(49)26-25-36-39-29-38-35-21-12-14-24-43(35)51(44(38)30-45(39)52-48(36)47)46-28-33(31-15-5-2-6-16-31)27-42(50-46)32-17-7-3-8-18-32/h2-19,21-30,34H,20H2,1H3.
What are the key properties of 24-cyclohexa-2,4-dien-1-yl-11-(4,6-diphenyl-2-pyridinyl)-24-methyl-15-oxa-11-azaheptacyclo[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?
24-cyclohexa-2,4-dien-1-yl-11-(4,6-diphenyl-2-pyridinyl)-24-methyl-15-oxa-11-azaheptacyclo[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 has a molecular weight of 666.82 g/mol, XLogP of 12.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 24-cyclohexa-2,4-dien-1-yl-11-(4,6-diphenyl-2-pyridinyl)-24-methyl-15-oxa-11-azaheptacyclo[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 is sourced from PubChem (CID 163830930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).