6-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,11,13,15,18,20,22-decaene

C33H23BN2O2 — CID 153263417

IUPAC6-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,11,13,15,18,20,22-decaene
SMILESC=C/C=c1\c(=C/C)c2ccccc2n1-c1ccc2c(c1)OB1c3ccccc3-c3c(oc4ccccc34)N12
InChIInChI=1S/C33H23BN2O2/c1-3-11-27-22(4-2)23-12-6-9-16-28(23)35(27)21-18-19-29-31(20-21)38-34-26-15-8-5-13-24(26)32-25-14-7-10-17-30(25)37-33(32)36(29)34/h3-20H,1H2,2H3/b22-4-,27-11+
InChIKeyWVRQRHBRWLVSSZ-HNLOTFKMSA-N
MW490.37 g/mol
LogP6.05
Rot. Bonds2

About 6-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,11,13,15,18,20,22-decaene

6-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,11,13,15,18,20,22-decaene (PubChem CID 153263417) has the molecular formula C33H23BN2O2 and a molecular weight of 490.37 g/mol. Its IUPAC name is 6-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,11,13,15,18,20,22-decaene.

Molecular Properties

Compound Name6-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,11,13,15,18,20,22-decaene
PubChem CID153263417
Molecular FormulaC33H23BN2O2
Molecular Weight490.37 g/mol
Exact Mass490.19
IUPAC Name6-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,11,13,15,18,20,22-decaene
SMILESC=C/C=c1\c(=C/C)c2ccccc2n1-c1ccc2c(c1)OB1c3ccccc3-c3c(oc4ccccc34)N12
InChIInChI=1S/C33H23BN2O2/c1-3-11-27-22(4-2)23-12-6-9-16-28(23)35(27)21-18-19-29-31(20-21)38-34-26-15-8-5-13-24(26)32-25-14-7-10-17-30(25)37-33(32)36(29)34/h3-20H,1H2,2H3/b22-4-,27-11+
InChIKeyWVRQRHBRWLVSSZ-HNLOTFKMSA-N
XLogP6.05
TPSA30.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.37
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,11,13,15,18,20,22-decaene with MolForge

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Related Compounds

14-carbazol-9-yl-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11(16),12,14,18,20,22-decaene;16-dibenzofuran-4-yl-3,14-dioxa-1-aza-13-borapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2(6),4,7,9,11,15,17,19-octaene;9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,11,13,15,18,20,22-decaene
CID 160769007
25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene
CID 140821534
11-[3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-[(1Z,2E)-1-ethylidene-2-prop-2-enylidene-[1]benzofuro[2,3-f]indol-3-yl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126651938
18-(9,9-dimethylfluoren-2-yl)-21-oxa-14-aza-1-borapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,10,12,15(20),16,18-nonaene;18-[3-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-21-oxa-14-aza-1-borapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,10,12,15(20),16,18-nonaene;18-[3-(9-phenylcarbazol-3-yl)phenyl]-21-oxa-14-aza-1-borapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,10,12,15(20),16,18-nonaene
CID 161139543
[3-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]phenyl]boronic acid;ethane
CID 143305921
ethane;3-[3-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]cyclopenta-1,2-dien-1-yl]-9-(3-phenylphenyl)carbazole;(2Z,4Z)-hexa-2,4-diene
CID 145322648
9-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6(11),7,9,12,17,19,21,23(28),24,26-dodecaene;25-carbazol-9-yl-5,15-dioxa-1,24-diaza-16-boraheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2(14),3,6,8,10,12,17,19,21,23(28),24,26-dodecaene;5-carbazol-9-yl-21-oxa-4,14-diaza-1-borapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,10,12,15,17,19-nonaene;10-carbazol-9-yl-21-oxa-4,14-diaza-1-borapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2(7),3,5,8(13),9,11,15,17,19-nonaene;21-oxa-4,14-diaza-1-borapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2(7),3,5,8,10,12,15,17,19-nonaene
CID 162044453
9-[4-(23-oxa-8-borahexacyclo[13.11.0.02,7.09,14.016,24.017,22]hexacosa-1(15),2,4,6,9,11,13,16(24),17,19,21,25-dodecaen-8-yl)phenyl]carbazole
CID 140863404
1-dibenzofuran-3-yl-2-(1-dibenzofuran-3-yl-2-ethenylindol-3-yl)-3-methylindole
CID 154935473
9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole
CID 176744439
9-(4-dibenzofuran-2-ylphenyl)-3-[8-[(3Z)-3-[(2E)-2-ethylidene-1-phenylindol-3-ylidene]prop-1-en-2-yl]dibenzofuran-2-yl]carbazole
CID 137474196
2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole
CID 70658954

Frequently Asked Questions

What is the IUPAC name of 6-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,11,13,15,18,20,22-decaene?
The IUPAC name of 6-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,11,13,15,18,20,22-decaene (CID 153263417) is 6-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,11,13,15,18,20,22-decaene.
What is the SMILES notation for 6-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,11,13,15,18,20,22-decaene?
The canonical SMILES for 6-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,11,13,15,18,20,22-decaene is C=C/C=c1\c(=C/C)c2ccccc2n1-c1ccc2c(c1)OB1c3ccccc3-c3c(oc4ccccc34)N12.
What is the InChIKey of 6-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,11,13,15,18,20,22-decaene?
The InChIKey is WVRQRHBRWLVSSZ-HNLOTFKMSA-N. The full InChI is InChI=1S/C33H23BN2O2/c1-3-11-27-22(4-2)23-12-6-9-16-28(23)35(27)21-18-19-29-31(20-21)38-34-26-15-8-5-13-24(26)32-25-14-7-10-17-30(25)37-33(32)36(29)34/h3-20H,1H2,2H3/b22-4-,27-11+.
What are the key properties of 6-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,11,13,15,18,20,22-decaene?
6-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,11,13,15,18,20,22-decaene has a molecular weight of 490.37 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E,3Z)-3-ethylidene-2-prop-2-enylideneindol-1-yl]-9,24-dioxa-2-aza-10-borahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3(8),4,6,11,13,15,18,20,22-decaene is sourced from PubChem (CID 153263417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).