(6Z)-6-[5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-imine;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

C66H41N7OS — CID 144803569

About (6Z)-6-[5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-imine;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

(6Z)-6-[5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-imine;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 144803569) has the molecular formula C66H41N7OS and a molecular weight of 980.17 g/mol. Its IUPAC name is (6Z)-6-[5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-imine;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: (6Z)-6-[5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-imine;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: 144803569
• Molecular Formula: C66H41N7OS
• Molecular Weight: 980.17 g/mol
• Exact Mass: 979.31
• IUPAC Name: (6Z)-6-[5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-imine;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: [H]/N=C1\C=CC=C\C1=C1/C=CC(n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)=CN1.c1ccc2c(c1)nn1cc(-n3c4ccc5c6ccccc6oc5c4c4c5ccccc5sc43)ccc21
• InChI: InChI=1S/C35H24N4.C31H17N3OS/c36-30-15-7-4-14-29(30)31-21-18-24(22-37-31)39-33-17-9-6-13-26(33)28-20-19-27-25-12-5-8-16-32(25)38(34(27)35(28)39)23-10-2-1-3-11-23;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/h1-22,36-37H;1-17H/b31-29-,36-30+
• InChIKey: YXNVHRHNPBVYFW-RBHIQNIGSA-N
• XLogP: 16.95
• TPSA: 81.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	980.17
LogP ≤ 5	16.95
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 (6Z)-6-[5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-imine;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 (6Z)-6-[5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-imine;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 144803569) is (6Z)-6-[5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-imine;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 (6Z)-6-[5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-imine;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 (6Z)-6-[5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-imine;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 [H]/N=C1\C=CC=C\C1=C1/C=CC(n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)=CN1.c1ccc2c(c1)nn1cc(-n3c4ccc5c6ccccc6oc5c4c4c5ccccc5sc43)ccc21.

What is the InChIKey of (6Z)-6-[5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-imine;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 YXNVHRHNPBVYFW-RBHIQNIGSA-N. The full InChI is InChI=1S/C35H24N4.C31H17N3OS/c36-30-15-7-4-14-29(30)31-21-18-24(22-37-31)39-33-17-9-6-13-26(33)28-20-19-27-25-12-5-8-16-32(25)38(34(27)35(28)39)23-10-2-1-3-11-23;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/h1-22,36-37H;1-17H/b31-29-,36-30+;.

What are the key properties of (6Z)-6-[5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-imine;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?

(6Z)-6-[5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-imine;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 980.17 g/mol, XLogP of 16.95, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z)-6-[5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1H-pyridin-2-ylidene]cyclohexa-2,4-dien-1-imine;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 144803569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).