N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine

C68H43N3O — CID 129123770

IUPACN-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(N(c3ccc5c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)c3ccc5c(c3)oc3ccccc35)cc2)nc2ccccc24)cc1
InChIInChI=1S/C68H43N3O/c1-4-18-45(19-5-1)68(46-20-6-2-7-21-46)58-28-14-10-24-51(58)52-38-36-49(42-59(52)68)70(50-37-39-54-53-25-13-17-31-63(53)72-64(54)43-50)48-34-32-44(33-35-48)67-57-40-41-62-66(65(57)55-26-11-15-29-60(55)69-67)56-27-12-16-30-61(56)71(62)47-22-8-3-9-23-47/h1-43H
InChIKeySVKCURAEOMIUNI-UHFFFAOYSA-N
MW918.11 g/mol
LogP17.88
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine

N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine (PubChem CID 129123770) has the molecular formula C68H43N3O and a molecular weight of 918.11 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine
PubChem CID129123770
Molecular FormulaC68H43N3O
Molecular Weight918.11 g/mol
Exact Mass917.34
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(N(c3ccc5c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)c3ccc5c(c3)oc3ccccc35)cc2)nc2ccccc24)cc1
InChIInChI=1S/C68H43N3O/c1-4-18-45(19-5-1)68(46-20-6-2-7-21-46)58-28-14-10-24-51(58)52-38-36-49(42-59(52)68)70(50-37-39-54-53-25-13-17-31-63(53)72-64(54)43-50)48-34-32-44(33-35-48)67-57-40-41-62-66(65(57)55-26-11-15-29-60(55)69-67)56-27-12-16-30-61(56)71(62)47-22-8-3-9-23-47/h1-43H
InChIKeySVKCURAEOMIUNI-UHFFFAOYSA-N
XLogP17.88
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.11
LogP ≤ 517.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine (CID 129123770) is N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine is c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2ccc(N(c3ccc5c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)c3ccc5c(c3)oc3ccccc35)cc2)nc2ccccc24)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is SVKCURAEOMIUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43N3O/c1-4-18-45(19-5-1)68(46-20-6-2-7-21-46)58-28-14-10-24-51(58)52-38-36-49(42-59(52)68)70(50-37-39-54-53-25-13-17-31-63(53)72-64(54)43-50)48-34-32-44(33-35-48)67-57-40-41-62-66(65(57)55-26-11-15-29-60(55)69-67)56-27-12-16-30-61(56)71(62)47-22-8-3-9-23-47/h1-43H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine?
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 918.11 g/mol, XLogP of 17.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 129123770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).