12-[(6E)-6-cyclohexa-2,4-dien-1-ylidene-1H-pyridin-3-yl]-11-phenylindolo[2,3-a]carbazole;methanimine;14-pyrido[1,2-b]indazol-8-yl-3-oxa-16-thia-14-azahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene

C67H45N7OS — CID 144803784

About 12-[(6E)-6-cyclohexa-2,4-dien-1-ylidene-1H-pyridin-3-yl]-11-phenylindolo[2,3-a]carbazole;methanimine;14-pyrido[1,2-b]indazol-8-yl-3-oxa-16-thia-14-azahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene

12-[(6E)-6-cyclohexa-2,4-dien-1-ylidene-1H-pyridin-3-yl]-11-phenylindolo[2,3-a]carbazole;methanimine;14-pyrido[1,2-b]indazol-8-yl-3-oxa-16-thia-14-azahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene (PubChem CID 144803784) has the molecular formula C67H45N7OS and a molecular weight of 996.21 g/mol. Its IUPAC name is 12-[(6E)-6-cyclohexa-2,4-dien-1-ylidene-1H-pyridin-3-yl]-11-phenylindolo[2,3-a]carbazole;methanimine;14-pyrido[1,2-b]indazol-8-yl-3-oxa-16-thia-14-azahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene.

Molecular Properties

• Compound Name: 12-[(6E)-6-cyclohexa-2,4-dien-1-ylidene-1H-pyridin-3-yl]-11-phenylindolo[2,3-a]carbazole;methanimine;14-pyrido[1,2-b]indazol-8-yl-3-oxa-16-thia-14-azahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene
• PubChem CID: 144803784
• Molecular Formula: C67H45N7OS
• Molecular Weight: 996.21 g/mol
• Exact Mass: 995.34
• IUPAC Name: 12-[(6E)-6-cyclohexa-2,4-dien-1-ylidene-1H-pyridin-3-yl]-11-phenylindolo[2,3-a]carbazole;methanimine;14-pyrido[1,2-b]indazol-8-yl-3-oxa-16-thia-14-azahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene
• SMILES: C1=CC/C(=C2/C=CC(n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)=CN2)C=C1.[H]N=C.c1ccc2c(c1)nn1cc(-n3c4ccc5c6ccccc6oc5c4c4c5ccccc5sc43)ccc21
• InChI: InChI=1S/C35H25N3.C31H17N3OS.CH3N/c1-3-11-24(12-4-1)31-22-19-26(23-36-31)38-33-18-10-8-16-28(33)30-21-20-29-27-15-7-9-17-32(27)37(34(29)35(30)38)25-13-5-2-6-14-25;1-4-10-23-21(8-1)24-15-13-18(17-33(24)32-23)34-25-16-14-20-19-7-2-5-11-26(19)35-30(20)29(25)28-22-9-3-6-12-27(22)36-31(28)34;1-2/h1-11,13-23,36H,12H2;1-17H;2H,1H2/b31-24-
• InChIKey: CJJINJATQWIKEJ-MDRFVTBBSA-N
• XLogP: 17.58
• TPSA: 81.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	996.21
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12-[(6E)-6-cyclohexa-2,4-dien-1-ylidene-1H-pyridin-3-yl]-11-phenylindolo[2,3-a]carbazole;methanimine;14-pyrido[1,2-b]indazol-8-yl-3-oxa-16-thia-14-azahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene?

The IUPAC name of 12-[(6E)-6-cyclohexa-2,4-dien-1-ylidene-1H-pyridin-3-yl]-11-phenylindolo[2,3-a]carbazole;methanimine;14-pyrido[1,2-b]indazol-8-yl-3-oxa-16-thia-14-azahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene (CID 144803784) is 12-[(6E)-6-cyclohexa-2,4-dien-1-ylidene-1H-pyridin-3-yl]-11-phenylindolo[2,3-a]carbazole;methanimine;14-pyrido[1,2-b]indazol-8-yl-3-oxa-16-thia-14-azahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene.

What is the SMILES notation for 12-[(6E)-6-cyclohexa-2,4-dien-1-ylidene-1H-pyridin-3-yl]-11-phenylindolo[2,3-a]carbazole;methanimine;14-pyrido[1,2-b]indazol-8-yl-3-oxa-16-thia-14-azahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene?

The canonical SMILES for 12-[(6E)-6-cyclohexa-2,4-dien-1-ylidene-1H-pyridin-3-yl]-11-phenylindolo[2,3-a]carbazole;methanimine;14-pyrido[1,2-b]indazol-8-yl-3-oxa-16-thia-14-azahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene is C1=CC/C(=C2/C=CC(n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)=CN2)C=C1.[H]N=C.c1ccc2c(c1)nn1cc(-n3c4ccc5c6ccccc6oc5c4c4c5ccccc5sc43)ccc21.

What is the InChIKey of 12-[(6E)-6-cyclohexa-2,4-dien-1-ylidene-1H-pyridin-3-yl]-11-phenylindolo[2,3-a]carbazole;methanimine;14-pyrido[1,2-b]indazol-8-yl-3-oxa-16-thia-14-azahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene?

The InChIKey is CJJINJATQWIKEJ-MDRFVTBBSA-N. The full InChI is InChI=1S/C35H25N3.C31H17N3OS.CH3N/c1-3-11-24(12-4-1)31-22-19-26(23-36-31)38-33-18-10-8-16-28(33)30-21-20-29-27-15-7-9-17-32(27)37(34(29)35(30)38)25-13-5-2-6-14-25;1-4-10-23-21(8-1)24-15-13-18(17-33(24)32-23)34-25-16-14-20-19-7-2-5-11-26(19)35-30(20)29(25)28-22-9-3-6-12-27(22)36-31(28)34;1-2/h1-11,13-23,36H,12H2;1-17H;2H,1H2/b31-24-;;.

What are the key properties of 12-[(6E)-6-cyclohexa-2,4-dien-1-ylidene-1H-pyridin-3-yl]-11-phenylindolo[2,3-a]carbazole;methanimine;14-pyrido[1,2-b]indazol-8-yl-3-oxa-16-thia-14-azahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene?

12-[(6E)-6-cyclohexa-2,4-dien-1-ylidene-1H-pyridin-3-yl]-11-phenylindolo[2,3-a]carbazole;methanimine;14-pyrido[1,2-b]indazol-8-yl-3-oxa-16-thia-14-azahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene has a molecular weight of 996.21 g/mol, XLogP of 17.58, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[(6E)-6-cyclohexa-2,4-dien-1-ylidene-1H-pyridin-3-yl]-11-phenylindolo[2,3-a]carbazole;methanimine;14-pyrido[1,2-b]indazol-8-yl-3-oxa-16-thia-14-azahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,15(23),17,19,21-decaene is sourced from PubChem (CID 144803784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).