3,19-di(carbazol-9-yl)-1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10,13,15,17(34),19,21(33),22,24,27,29,31-pentadecaene-12,26-dione

C56H30N4O2 — CID 168832328

IUPAC3,19-di(carbazol-9-yl)-1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10,13,15,17(34),19,21(33),22,24,27,29,31-pentadecaene-12,26-dione
SMILESO=c1c2ccccc2n2c3c(-n4c5ccccc5c5ccccc54)c4c(c(-n5c6ccccc6c6ccccc65)c3c3cccc1c32)c1cccc2c(=O)c3ccccc3n4c21
InChIInChI=1S/C56H30N4O2/c61-55-35-19-5-11-29-45(35)59-49-37(21-13-23-39(49)55)47-51(57-41-25-7-1-15-31(41)32-16-2-8-26-42(32)57)48-38-22-14-24-40-50(38)60(46-30-12-6-20-36(46)56(40)62)53(48)54(52(47)59)58-43-27-9-3-17-33(43)34-18-4-10-28-44(34)58/h1-30H
InChIKeyWZZJYEPVUTYEMP-UHFFFAOYSA-N
MW790.88 g/mol
LogP12.90
Rot. Bonds2

About 3,19-di(carbazol-9-yl)-1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10,13,15,17(34),19,21(33),22,24,27,29,31-pentadecaene-12,26-dione

3,19-di(carbazol-9-yl)-1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10,13,15,17(34),19,21(33),22,24,27,29,31-pentadecaene-12,26-dione (PubChem CID 168832328) has the molecular formula C56H30N4O2 and a molecular weight of 790.88 g/mol. Its IUPAC name is 3,19-di(carbazol-9-yl)-1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10,13,15,17(34),19,21(33),22,24,27,29,31-pentadecaene-12,26-dione.

Molecular Properties

Compound Name3,19-di(carbazol-9-yl)-1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10,13,15,17(34),19,21(33),22,24,27,29,31-pentadecaene-12,26-dione
PubChem CID168832328
Molecular FormulaC56H30N4O2
Molecular Weight790.88 g/mol
Exact Mass790.24
IUPAC Name3,19-di(carbazol-9-yl)-1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10,13,15,17(34),19,21(33),22,24,27,29,31-pentadecaene-12,26-dione
SMILESO=c1c2ccccc2n2c3c(-n4c5ccccc5c5ccccc54)c4c(c(-n5c6ccccc6c6ccccc65)c3c3cccc1c32)c1cccc2c(=O)c3ccccc3n4c21
InChIInChI=1S/C56H30N4O2/c61-55-35-19-5-11-29-45(35)59-49-37(21-13-23-39(49)55)47-51(57-41-25-7-1-15-31(41)32-16-2-8-26-42(32)57)48-38-22-14-24-40-50(38)60(46-30-12-6-20-36(46)56(40)62)53(48)54(52(47)59)58-43-27-9-3-17-33(43)34-18-4-10-28-44(34)58/h1-30H
InChIKeyWZZJYEPVUTYEMP-UHFFFAOYSA-N
XLogP12.90
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.88
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3,19-di(carbazol-9-yl)-1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10,13,15,17(34),19,21(33),22,24,27,29,31-pentadecaene-12,26-dione with MolForge

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Related Compounds

3-chloro-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-one
CID 155929728
3,5,6-tri(carbazol-9-yl)-4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 177101754
1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10,13,15,17(34),18,21(33),22,24,27,29,31-pentadecaene-12,26-dione
CID 168832329
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
5-[4-(8,14-dioxo-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-1-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,14-dione
CID 164707244
11-fluoro-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,14-dione
CID 163712708
4-phenyl-4,19-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.020,25.026,30]triaconta-1(29),2(18),3(11),5,7,9,12,14,16,20,22,24,26(30),27-tetradecaene
CID 163748351
7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene
CID 138506886
15-methyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
CID 12539302
tris(3,18-dimethyl-1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.024,31.025,30.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20,22,24(31),25,27,29-pentadecaene);methane
CID 163862004
3,18-dimethyl-1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.024,31.025,30.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20,22,24(31),25,27,29-pentadecaene;methane
CID 163626425
4,20,32-triazaundecacyclo[18.16.1.14,11.121,25.02,19.03,16.05,10.026,31.033,37.015,39.032,38]nonatriaconta-1(37),2(19),3(16),5,7,9,11(39),12,14,17,21,23,25(38),26,28,30,33,35-octadecaene
CID 171595081

Frequently Asked Questions

What is the IUPAC name of 3,19-di(carbazol-9-yl)-1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10,13,15,17(34),19,21(33),22,24,27,29,31-pentadecaene-12,26-dione?
The IUPAC name of 3,19-di(carbazol-9-yl)-1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10,13,15,17(34),19,21(33),22,24,27,29,31-pentadecaene-12,26-dione (CID 168832328) is 3,19-di(carbazol-9-yl)-1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10,13,15,17(34),19,21(33),22,24,27,29,31-pentadecaene-12,26-dione.
What is the SMILES notation for 3,19-di(carbazol-9-yl)-1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10,13,15,17(34),19,21(33),22,24,27,29,31-pentadecaene-12,26-dione?
The canonical SMILES for 3,19-di(carbazol-9-yl)-1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10,13,15,17(34),19,21(33),22,24,27,29,31-pentadecaene-12,26-dione is O=c1c2ccccc2n2c3c(-n4c5ccccc5c5ccccc54)c4c(c(-n5c6ccccc6c6ccccc65)c3c3cccc1c32)c1cccc2c(=O)c3ccccc3n4c21.
What is the InChIKey of 3,19-di(carbazol-9-yl)-1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10,13,15,17(34),19,21(33),22,24,27,29,31-pentadecaene-12,26-dione?
The InChIKey is WZZJYEPVUTYEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H30N4O2/c61-55-35-19-5-11-29-45(35)59-49-37(21-13-23-39(49)55)47-51(57-41-25-7-1-15-31(41)32-16-2-8-26-42(32)57)48-38-22-14-24-40-50(38)60(46-30-12-6-20-36(46)56(40)62)53(48)54(52(47)59)58-43-27-9-3-17-33(43)34-18-4-10-28-44(34)58/h1-30H.
What are the key properties of 3,19-di(carbazol-9-yl)-1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10,13,15,17(34),19,21(33),22,24,27,29,31-pentadecaene-12,26-dione?
3,19-di(carbazol-9-yl)-1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10,13,15,17(34),19,21(33),22,24,27,29,31-pentadecaene-12,26-dione has a molecular weight of 790.88 g/mol, XLogP of 12.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,19-di(carbazol-9-yl)-1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10,13,15,17(34),19,21(33),22,24,27,29,31-pentadecaene-12,26-dione is sourced from PubChem (CID 168832328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).