N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine

C62H38N2O2 — CID 129123886

IUPACN-(9,9-diphenylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)cc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1
InChIInChI=1S/C62H38N2O2/c1-3-15-40(16-4-1)62(41-17-5-2-6-18-41)53-23-11-7-19-45(53)46-33-31-43(37-54(46)62)64(44-32-34-49-47-20-9-13-25-56(47)65-58(49)38-44)42-29-27-39(28-30-42)60-52-36-35-50-48-21-10-14-26-57(48)66-61(50)59(52)51-22-8-12-24-55(51)63-60/h1-38H
InChIKeyKMWZRJZHVMXYKA-UHFFFAOYSA-N
MW843.00 g/mol
LogP16.69
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine

N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine (PubChem CID 129123886) has the molecular formula C62H38N2O2 and a molecular weight of 843.00 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine
PubChem CID129123886
Molecular FormulaC62H38N2O2
Molecular Weight843.00 g/mol
Exact Mass842.29
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)cc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1
InChIInChI=1S/C62H38N2O2/c1-3-15-40(16-4-1)62(41-17-5-2-6-18-41)53-23-11-7-19-45(53)46-33-31-43(37-54(46)62)64(44-32-34-49-47-20-9-13-25-56(47)65-58(49)38-44)42-29-27-39(28-30-42)60-52-36-35-50-48-21-10-14-26-57(48)66-61(50)59(52)51-22-8-12-24-55(51)63-60/h1-38H
InChIKeyKMWZRJZHVMXYKA-UHFFFAOYSA-N
XLogP16.69
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.00
LogP ≤ 516.69
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-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine
CID 129123918
N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 129123934
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121383311
N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565747
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964130
N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-21-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 158536996
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine
CID 171453577
9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine
CID 171451773
7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,10,10,22,22-hexakis-phenylhexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 163556957
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 161367411
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 169022143

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine (CID 129123886) is N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)cc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is KMWZRJZHVMXYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2O2/c1-3-15-40(16-4-1)62(41-17-5-2-6-18-41)53-23-11-7-19-45(53)46-33-31-43(37-54(46)62)64(44-32-34-49-47-20-9-13-25-56(47)65-58(49)38-44)42-29-27-39(28-30-42)60-52-36-35-50-48-21-10-14-26-57(48)66-61(50)59(52)51-22-8-12-24-55(51)63-60/h1-38H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine?
N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 843.00 g/mol, XLogP of 16.69, 6 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-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 129123886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).