4-[[15'-(4-cyano-N-dibenzofuran-4-ylanilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-dibenzofuran-4-ylamino]benzonitrile

C77H45N5O2 — CID 137416796

About 4-[[15'-(4-cyano-N-dibenzofuran-4-ylanilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-dibenzofuran-4-ylamino]benzonitrile

4-[[15'-(4-cyano-N-dibenzofuran-4-ylanilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-dibenzofuran-4-ylamino]benzonitrile (PubChem CID 137416796) has the molecular formula C77H45N5O2 and a molecular weight of 1072.24 g/mol. Its IUPAC name is 4-[[15'-(4-cyano-N-dibenzofuran-4-ylanilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-dibenzofuran-4-ylamino]benzonitrile.

Molecular Properties

• Compound Name: 4-[[15'-(4-cyano-N-dibenzofuran-4-ylanilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-dibenzofuran-4-ylamino]benzonitrile
• PubChem CID: 137416796
• Molecular Formula: C77H45N5O2
• Molecular Weight: 1072.24 g/mol
• Exact Mass: 1071.36
• IUPAC Name: 4-[[15'-(4-cyano-N-dibenzofuran-4-ylanilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-dibenzofuran-4-ylamino]benzonitrile
• SMILES: N#Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C#N)cc4)c4cccc5c4oc4ccccc45)c4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C77H45N5O2/c78-46-48-36-40-51(41-37-48)81(67-32-16-26-59-55-22-8-14-34-71(55)83-75(59)67)69-44-63-73(57-24-6-4-20-53(57)69)74-58-25-7-5-21-54(58)70(82(52-42-38-49(47-79)39-43-52)68-33-17-27-60-56-23-9-15-35-72(56)84-76(60)68)45-64(74)77(63)61-28-10-12-30-65(61)80(50-18-2-1-3-19-50)66-31-13-11-29-62(66)77/h1-45H
• InChIKey: LJDGZTQRKYLFBV-UHFFFAOYSA-N
• XLogP: 20.62
• TPSA: 83.58 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1072.24
LogP ≤ 5	20.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[[15'-(4-cyano-N-dibenzofuran-4-ylanilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-dibenzofuran-4-ylamino]benzonitrile?

The IUPAC name of 4-[[15'-(4-cyano-N-dibenzofuran-4-ylanilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-dibenzofuran-4-ylamino]benzonitrile (CID 137416796) is 4-[[15'-(4-cyano-N-dibenzofuran-4-ylanilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-dibenzofuran-4-ylamino]benzonitrile.

What is the SMILES notation for 4-[[15'-(4-cyano-N-dibenzofuran-4-ylanilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-dibenzofuran-4-ylamino]benzonitrile?

The canonical SMILES for 4-[[15'-(4-cyano-N-dibenzofuran-4-ylanilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-dibenzofuran-4-ylamino]benzonitrile is N#Cc1ccc(N(c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C#N)cc4)c4cccc5c4oc4ccccc45)c4ccccc24)C32c3ccccc3N(c3ccccc3)c3ccccc32)c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of 4-[[15'-(4-cyano-N-dibenzofuran-4-ylanilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-dibenzofuran-4-ylamino]benzonitrile?

The InChIKey is LJDGZTQRKYLFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H45N5O2/c78-46-48-36-40-51(41-37-48)81(67-32-16-26-59-55-22-8-14-34-71(55)83-75(59)67)69-44-63-73(57-24-6-4-20-53(57)69)74-58-25-7-5-21-54(58)70(82(52-42-38-49(47-79)39-43-52)68-33-17-27-60-56-23-9-15-35-72(56)84-76(60)68)45-64(74)77(63)61-28-10-12-30-65(61)80(50-18-2-1-3-19-50)66-31-13-11-29-62(66)77/h1-45H.

What are the key properties of 4-[[15'-(4-cyano-N-dibenzofuran-4-ylanilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-dibenzofuran-4-ylamino]benzonitrile?

4-[[15'-(4-cyano-N-dibenzofuran-4-ylanilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-dibenzofuran-4-ylamino]benzonitrile has a molecular weight of 1072.24 g/mol, XLogP of 20.62, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[15'-(4-cyano-N-dibenzofuran-4-ylanilino)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]-dibenzofuran-4-ylamino]benzonitrile is sourced from PubChem (CID 137416796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).