2-[2-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-5-carbazol-9-ylbenzonitrile;7-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;14-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C172H100N12O4 — CID 159729140

About 2-[2-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-5-carbazol-9-ylbenzonitrile;7-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;14-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

2-[2-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-5-carbazol-9-ylbenzonitrile;7-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;14-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 159729140) has the molecular formula C172H100N12O4 and a molecular weight of 2398.77 g/mol. Its IUPAC name is 2-[2-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-5-carbazol-9-ylbenzonitrile;7-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;14-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 2-[2-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-5-carbazol-9-ylbenzonitrile;7-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;14-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 159729140
• Molecular Formula: C172H100N12O4
• Molecular Weight: 2398.77 g/mol
• Exact Mass: 2396.80
• IUPAC Name: 2-[2-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-5-carbazol-9-ylbenzonitrile;7-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;14-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: N#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccccc1-n1c2ccccc2c2cc3oc4ccccc4c3cc21.[C-]#[N+]c1cc(-c2ccccc2-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)ccc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(-c2ccccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)ccc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(-c2ccccc2-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)ccc1-n1c2ccccc2c2ccccc21
• InChI: InChI=1S/4C43H25N3O/c1-44-34-26-27(22-24-39(34)45-36-18-8-3-13-29(36)30-14-4-9-19-37(30)45)28-12-2-7-17-35(28)46-38-20-10-5-16-33(38)42-40(46)25-23-32-31-15-6-11-21-41(31)47-43(32)42;1-44-35-24-27(22-23-40(35)45-37-18-8-3-13-29(37)30-14-4-9-19-38(30)45)28-12-2-7-17-36(28)46-39-20-10-5-15-31(39)33-25-34-32-16-6-11-21-42(32)47-43(34)26-41(33)46;1-44-33-26-27(22-23-38(33)45-35-18-8-3-13-29(35)30-14-4-9-19-36(30)45)28-12-2-7-17-34(28)46-37-20-10-5-15-31(37)42-39(46)24-25-41-43(42)32-16-6-11-21-40(32)47-41;44-26-27-23-28(45-37-16-6-2-12-31(37)32-13-3-7-17-38(32)45)21-22-29(27)30-11-1-8-18-39(30)46-40-19-9-4-14-33(40)35-25-43-36(24-41(35)46)34-15-5-10-20-42(34)47-43/h3*2-26H;1-25H
• InChIKey: NBAAYPLTQMMQDZ-UHFFFAOYSA-N
• XLogP: 47.31
• TPSA: 128.87 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2398.77
LogP ≤ 5	47.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-5-carbazol-9-ylbenzonitrile;7-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;14-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 2-[2-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-5-carbazol-9-ylbenzonitrile;7-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;14-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 159729140) is 2-[2-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-5-carbazol-9-ylbenzonitrile;7-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;14-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 2-[2-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-5-carbazol-9-ylbenzonitrile;7-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;14-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 2-[2-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-5-carbazol-9-ylbenzonitrile;7-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;14-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is N#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccccc1-n1c2ccccc2c2cc3oc4ccccc4c3cc21.[C-]#[N+]c1cc(-c2ccccc2-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)ccc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(-c2ccccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)ccc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(-c2ccccc2-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)ccc1-n1c2ccccc2c2ccccc21.

What is the InChIKey of 2-[2-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-5-carbazol-9-ylbenzonitrile;7-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;14-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is NBAAYPLTQMMQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C43H25N3O/c1-44-34-26-27(22-24-39(34)45-36-18-8-3-13-29(36)30-14-4-9-19-37(30)45)28-12-2-7-17-35(28)46-38-20-10-5-16-33(38)42-40(46)25-23-32-31-15-6-11-21-41(31)47-43(32)42;1-44-35-24-27(22-23-40(35)45-37-18-8-3-13-29(37)30-14-4-9-19-38(30)45)28-12-2-7-17-36(28)46-39-20-10-5-15-31(39)33-25-34-32-16-6-11-21-42(32)47-43(34)26-41(33)46;1-44-33-26-27(22-23-38(33)45-35-18-8-3-13-29(35)30-14-4-9-19-36(30)45)28-12-2-7-17-34(28)46-37-20-10-5-15-31(37)42-39(46)24-25-41-43(42)32-16-6-11-21-40(32)47-41;44-26-27-23-28(45-37-16-6-2-12-31(37)32-13-3-7-17-38(32)45)21-22-29(27)30-11-1-8-18-39(30)46-40-19-9-4-14-33(40)35-25-43-36(24-41(35)46)34-15-5-10-20-42(34)47-43/h3*2-26H;1-25H.

What are the key properties of 2-[2-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-5-carbazol-9-ylbenzonitrile;7-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;14-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

2-[2-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-5-carbazol-9-ylbenzonitrile;7-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;14-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 2398.77 g/mol, XLogP of 47.31, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-5-carbazol-9-ylbenzonitrile;7-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;14-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 159729140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).