21-[3-carbazol-9-yl-5-[4-(2-ethyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]

C65H44N4 — CID 140941237

About 21-[3-carbazol-9-yl-5-[4-(2-ethyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]

21-[3-carbazol-9-yl-5-[4-(2-ethyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] (PubChem CID 140941237) has the molecular formula C65H44N4 and a molecular weight of 881.09 g/mol. Its IUPAC name is 21-[3-carbazol-9-yl-5-[4-(2-ethyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene].

Molecular Properties

• Compound Name: 21-[3-carbazol-9-yl-5-[4-(2-ethyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]
• PubChem CID: 140941237
• Molecular Formula: C65H44N4
• Molecular Weight: 881.09 g/mol
• Exact Mass: 880.36
• IUPAC Name: 21-[3-carbazol-9-yl-5-[4-(2-ethyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]
• SMILES: CCC1Nc2ccccc2N1c1ccc(-c2cc(-c3nc4ccccc4c4ccc5c(c34)-c3ccccc3C53c4ccccc4-c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1
• InChI: InChI=1S/C65H44N4/c1-2-61-66-57-27-13-16-30-60(57)69(61)43-33-31-40(32-34-43)41-37-42(39-44(38-41)68-58-28-14-7-20-48(58)49-21-8-15-29-59(49)68)64-63-50(47-19-6-12-26-56(47)67-64)35-36-55-62(63)51-22-5-11-25-54(51)65(55)52-23-9-3-17-45(52)46-18-4-10-24-53(46)65/h3-39,61,66H,2H2,1H3
• InChIKey: LFKWNWNVVFYCSW-UHFFFAOYSA-N
• XLogP: 16.46
• TPSA: 33.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.09
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 21-[3-carbazol-9-yl-5-[4-(2-ethyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]?

The IUPAC name of 21-[3-carbazol-9-yl-5-[4-(2-ethyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] (CID 140941237) is 21-[3-carbazol-9-yl-5-[4-(2-ethyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene].

What is the SMILES notation for 21-[3-carbazol-9-yl-5-[4-(2-ethyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]?

The canonical SMILES for 21-[3-carbazol-9-yl-5-[4-(2-ethyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] is CCC1Nc2ccccc2N1c1ccc(-c2cc(-c3nc4ccccc4c4ccc5c(c34)-c3ccccc3C53c4ccccc4-c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1.

What is the InChIKey of 21-[3-carbazol-9-yl-5-[4-(2-ethyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]?

The InChIKey is LFKWNWNVVFYCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N4/c1-2-61-66-57-27-13-16-30-60(57)69(61)43-33-31-40(32-34-43)41-37-42(39-44(38-41)68-58-28-14-7-20-48(58)49-21-8-15-29-59(49)68)64-63-50(47-19-6-12-26-56(47)67-64)35-36-55-62(63)51-22-5-11-25-54(51)65(55)52-23-9-3-17-45(52)46-18-4-10-24-53(46)65/h3-39,61,66H,2H2,1H3.

What are the key properties of 21-[3-carbazol-9-yl-5-[4-(2-ethyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]?

21-[3-carbazol-9-yl-5-[4-(2-ethyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] has a molecular weight of 881.09 g/mol, XLogP of 16.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 21-[3-carbazol-9-yl-5-[4-(2-ethyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene] is sourced from PubChem (CID 140941237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).