6-[(6Z,8E,11R)-11-methyl-5-phenyl-10,11-dihydrocycloocta[b]indol-2-yl]-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

C51H35N3O — CID 144604278

IUPAC6-[(6Z,8E,11R)-11-methyl-5-phenyl-10,11-dihydrocycloocta[b]indol-2-yl]-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
SMILESC[C@@H]1C/C=C\C=C/c2c1c1cc(-n3c4ccccc4c4c5oc6c(ccc7c6c6ccccc6n7-c6ccccc6)c5ccc43)ccc1n2-c1ccccc1
InChIInChI=1S/C51H35N3O/c1-32-15-5-2-10-24-44-47(32)40-31-35(25-28-43(40)53(44)34-18-8-4-9-19-34)54-42-23-14-12-21-39(42)49-46(54)30-27-37-36-26-29-45-48(50(36)55-51(37)49)38-20-11-13-22-41(38)52(45)33-16-6-3-7-17-33/h2-14,16-32H,15H2,1H3/b5-2-,24-10-/t32-/m1/s1
InChIKeyYCCFXRQKICDMNS-JSGMDLDASA-N
MW705.86 g/mol
LogP13.80
Rot. Bonds3

About 6-[(6Z,8E,11R)-11-methyl-5-phenyl-10,11-dihydrocycloocta[b]indol-2-yl]-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

6-[(6Z,8E,11R)-11-methyl-5-phenyl-10,11-dihydrocycloocta[b]indol-2-yl]-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 (PubChem CID 144604278) has the molecular formula C51H35N3O and a molecular weight of 705.86 g/mol. Its IUPAC name is 6-[(6Z,8E,11R)-11-methyl-5-phenyl-10,11-dihydrocycloocta[b]indol-2-yl]-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.

Molecular Properties

Compound Name6-[(6Z,8E,11R)-11-methyl-5-phenyl-10,11-dihydrocycloocta[b]indol-2-yl]-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
PubChem CID144604278
Molecular FormulaC51H35N3O
Molecular Weight705.86 g/mol
Exact Mass705.28
IUPAC Name6-[(6Z,8E,11R)-11-methyl-5-phenyl-10,11-dihydrocycloocta[b]indol-2-yl]-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
SMILESC[C@@H]1C/C=C\C=C/c2c1c1cc(-n3c4ccccc4c4c5oc6c(ccc7c6c6ccccc6n7-c6ccccc6)c5ccc43)ccc1n2-c1ccccc1
InChIInChI=1S/C51H35N3O/c1-32-15-5-2-10-24-44-47(32)40-31-35(25-28-43(40)53(44)34-18-8-4-9-19-34)54-42-23-14-12-21-39(42)49-46(54)30-27-37-36-26-29-45-48(50(36)55-51(37)49)38-20-11-13-22-41(38)52(45)33-16-6-3-7-17-33/h2-14,16-32H,15H2,1H3/b5-2-,24-10-/t32-/m1/s1
InChIKeyYCCFXRQKICDMNS-JSGMDLDASA-N
XLogP13.80
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.86
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(6Z,8E,11R)-11-methyl-5-phenyl-10,11-dihydrocycloocta[b]indol-2-yl]-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 with MolForge

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Related Compounds

6-phenyl-24-(9-phenylcarbazol-3-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),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736677
3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 163632784
9-dibenzofuran-4-yl-3-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole
CID 159339879
5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]carbazole
CID 137401801
4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole
CID 144884300
buta-1,3-diene;6-(9-dibenzofuran-4-ylcarbazol-3-yl)-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
CID 144670218
6-(4-dibenzofuran-2-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;ethane
CID 144604260
24-(6,7-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-3-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),7,9,11,17(25),19,21,26-undecaene
CID 163597803
9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 163468163
6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-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-dodecaene
CID 166003071
15,19-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 126679130
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138

Frequently Asked Questions

What is the IUPAC name of 6-[(6Z,8E,11R)-11-methyl-5-phenyl-10,11-dihydrocycloocta[b]indol-2-yl]-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?
The IUPAC name of 6-[(6Z,8E,11R)-11-methyl-5-phenyl-10,11-dihydrocycloocta[b]indol-2-yl]-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 (CID 144604278) is 6-[(6Z,8E,11R)-11-methyl-5-phenyl-10,11-dihydrocycloocta[b]indol-2-yl]-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.
What is the SMILES notation for 6-[(6Z,8E,11R)-11-methyl-5-phenyl-10,11-dihydrocycloocta[b]indol-2-yl]-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?
The canonical SMILES for 6-[(6Z,8E,11R)-11-methyl-5-phenyl-10,11-dihydrocycloocta[b]indol-2-yl]-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 is C[C@@H]1C/C=C\C=C/c2c1c1cc(-n3c4ccccc4c4c5oc6c(ccc7c6c6ccccc6n7-c6ccccc6)c5ccc43)ccc1n2-c1ccccc1.
What is the InChIKey of 6-[(6Z,8E,11R)-11-methyl-5-phenyl-10,11-dihydrocycloocta[b]indol-2-yl]-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?
The InChIKey is YCCFXRQKICDMNS-JSGMDLDASA-N. The full InChI is InChI=1S/C51H35N3O/c1-32-15-5-2-10-24-44-47(32)40-31-35(25-28-43(40)53(44)34-18-8-4-9-19-34)54-42-23-14-12-21-39(42)49-46(54)30-27-37-36-26-29-45-48(50(36)55-51(37)49)38-20-11-13-22-41(38)52(45)33-16-6-3-7-17-33/h2-14,16-32H,15H2,1H3/b5-2-,24-10-/t32-/m1/s1.
What are the key properties of 6-[(6Z,8E,11R)-11-methyl-5-phenyl-10,11-dihydrocycloocta[b]indol-2-yl]-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?
6-[(6Z,8E,11R)-11-methyl-5-phenyl-10,11-dihydrocycloocta[b]indol-2-yl]-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 has a molecular weight of 705.86 g/mol, XLogP of 13.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6Z,8E,11R)-11-methyl-5-phenyl-10,11-dihydrocycloocta[b]indol-2-yl]-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 is sourced from PubChem (CID 144604278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).