10-[2,3-bis(ethenyl)phenyl]-20-naphthalen-1-yl-6,24-diphenyl-15-oxa-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(12),8,10,17(25),18(23),19,21,26-dodecaene

C56H36N2O — CID 142521202

IUPAC10-[2,3-bis(ethenyl)phenyl]-20-naphthalen-1-yl-6,24-diphenyl-15-oxa-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(12),8,10,17(25),18(23),19,21,26-dodecaene
SMILESC=Cc1cccc(-c2ccc3c(c2)c2c4oc5c(ccc6c5c5cc(-c7cccc8ccccc78)ccc5n6-c5ccccc5)c4ccc2n3-c2ccccc2)c1C=C
InChIInChI=1S/C56H36N2O/c1-3-35-16-13-23-43(41(35)4-2)37-25-29-49-47(33-37)53-51(57(49)39-18-7-5-8-19-39)31-27-45-46-28-32-52-54(56(46)59-55(45)53)48-34-38(44-24-14-17-36-15-11-12-22-42(36)44)26-30-50(48)58(52)40-20-9-6-10-21-40/h3-34H,1-2H2
InChIKeyHQRXXDZURRTRIA-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.55
Rot. Bonds6

About 10-[2,3-bis(ethenyl)phenyl]-20-naphthalen-1-yl-6,24-diphenyl-15-oxa-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(12),8,10,17(25),18(23),19,21,26-dodecaene

10-[2,3-bis(ethenyl)phenyl]-20-naphthalen-1-yl-6,24-diphenyl-15-oxa-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(12),8,10,17(25),18(23),19,21,26-dodecaene (PubChem CID 142521202) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is 10-[2,3-bis(ethenyl)phenyl]-20-naphthalen-1-yl-6,24-diphenyl-15-oxa-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(12),8,10,17(25),18(23),19,21,26-dodecaene.

Molecular Properties

Compound Name10-[2,3-bis(ethenyl)phenyl]-20-naphthalen-1-yl-6,24-diphenyl-15-oxa-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(12),8,10,17(25),18(23),19,21,26-dodecaene
PubChem CID142521202
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC Name10-[2,3-bis(ethenyl)phenyl]-20-naphthalen-1-yl-6,24-diphenyl-15-oxa-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(12),8,10,17(25),18(23),19,21,26-dodecaene
SMILESC=Cc1cccc(-c2ccc3c(c2)c2c4oc5c(ccc6c5c5cc(-c7cccc8ccccc78)ccc5n6-c5ccccc5)c4ccc2n3-c2ccccc2)c1C=C
InChIInChI=1S/C56H36N2O/c1-3-35-16-13-23-43(41(35)4-2)37-25-29-49-47(33-37)53-51(57(49)39-18-7-5-8-19-39)31-27-45-46-28-32-52-54(56(46)59-55(45)53)48-34-38(44-24-14-17-36-15-11-12-22-42(36)44)26-30-50(48)58(52)40-20-9-6-10-21-40/h3-34H,1-2H2
InChIKeyHQRXXDZURRTRIA-UHFFFAOYSA-N
XLogP15.55
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-[2,3-bis(ethenyl)phenyl]-20-naphthalen-1-yl-6,24-diphenyl-15-oxa-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(12),8,10,17(25),18(23),19,21,26-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10,20-dinaphthalen-1-yl-6-[3-(6-naphthalen-1-yl-24-naphthalen-2-yl-15-oxa-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(12),8,10,17(25),18,20,22,26-dodecaen-9-yl)phenyl]-24-phenyl-15-oxa-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(12),8,10,17(25),18(23),19,21,26-dodecaene
CID 147339942
11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541208
2-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351342
6-(3-dibenzofuran-4-ylphenyl)-24-phenyl-15-oxa-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;prop-1-ene
CID 144604324
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
7-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
CID 126628525
12-phenyl-7-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 121246518
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(7,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-6-naphthalen-1-yl-9-phenylcarbazole
CID 157256815
5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541205
N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline
CID 90125795
5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369788

Frequently Asked Questions

What is the IUPAC name of 10-[2,3-bis(ethenyl)phenyl]-20-naphthalen-1-yl-6,24-diphenyl-15-oxa-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(12),8,10,17(25),18(23),19,21,26-dodecaene?
The IUPAC name of 10-[2,3-bis(ethenyl)phenyl]-20-naphthalen-1-yl-6,24-diphenyl-15-oxa-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(12),8,10,17(25),18(23),19,21,26-dodecaene (CID 142521202) is 10-[2,3-bis(ethenyl)phenyl]-20-naphthalen-1-yl-6,24-diphenyl-15-oxa-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(12),8,10,17(25),18(23),19,21,26-dodecaene.
What is the SMILES notation for 10-[2,3-bis(ethenyl)phenyl]-20-naphthalen-1-yl-6,24-diphenyl-15-oxa-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(12),8,10,17(25),18(23),19,21,26-dodecaene?
The canonical SMILES for 10-[2,3-bis(ethenyl)phenyl]-20-naphthalen-1-yl-6,24-diphenyl-15-oxa-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(12),8,10,17(25),18(23),19,21,26-dodecaene is C=Cc1cccc(-c2ccc3c(c2)c2c4oc5c(ccc6c5c5cc(-c7cccc8ccccc78)ccc5n6-c5ccccc5)c4ccc2n3-c2ccccc2)c1C=C.
What is the InChIKey of 10-[2,3-bis(ethenyl)phenyl]-20-naphthalen-1-yl-6,24-diphenyl-15-oxa-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(12),8,10,17(25),18(23),19,21,26-dodecaene?
The InChIKey is HQRXXDZURRTRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-3-35-16-13-23-43(41(35)4-2)37-25-29-49-47(33-37)53-51(57(49)39-18-7-5-8-19-39)31-27-45-46-28-32-52-54(56(46)59-55(45)53)48-34-38(44-24-14-17-36-15-11-12-22-42(36)44)26-30-50(48)58(52)40-20-9-6-10-21-40/h3-34H,1-2H2.
What are the key properties of 10-[2,3-bis(ethenyl)phenyl]-20-naphthalen-1-yl-6,24-diphenyl-15-oxa-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(12),8,10,17(25),18(23),19,21,26-dodecaene?
10-[2,3-bis(ethenyl)phenyl]-20-naphthalen-1-yl-6,24-diphenyl-15-oxa-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(12),8,10,17(25),18(23),19,21,26-dodecaene has a molecular weight of 752.92 g/mol, XLogP of 15.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2,3-bis(ethenyl)phenyl]-20-naphthalen-1-yl-6,24-diphenyl-15-oxa-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(12),8,10,17(25),18(23),19,21,26-dodecaene is sourced from PubChem (CID 142521202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).