N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine

C53H39NO — CID 171732084

IUPACN-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
SMILESCC1(C)c2cc(N(c3cccc(-c4ccccc4-c4ccccc4)c3)c3ccc4ccc5cc6oc7ccccc7c6cc5c4c3)ccc2C2=CC=CCC21
InChIInChI=1S/C53H39NO/c1-53(2)49-21-10-8-19-43(49)44-28-27-40(32-50(44)53)54(38-16-12-15-36(29-38)42-18-7-6-17-41(42)34-13-4-3-5-14-34)39-26-25-35-23-24-37-30-52-48(33-47(37)46(35)31-39)45-20-9-11-22-51(45)55-52/h3-20,22-33,49H,21H2,1-2H3
InChIKeyADWXQFJIDXJNEE-UHFFFAOYSA-N
MW705.90 g/mol
LogP14.95
Rot. Bonds5

About N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine

N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine (PubChem CID 171732084) has the molecular formula C53H39NO and a molecular weight of 705.90 g/mol. Its IUPAC name is N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
PubChem CID171732084
Molecular FormulaC53H39NO
Molecular Weight705.90 g/mol
Exact Mass705.30
IUPAC NameN-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
SMILESCC1(C)c2cc(N(c3cccc(-c4ccccc4-c4ccccc4)c3)c3ccc4ccc5cc6oc7ccccc7c6cc5c4c3)ccc2C2=CC=CCC21
InChIInChI=1S/C53H39NO/c1-53(2)49-21-10-8-19-43(49)44-28-27-40(32-50(44)53)54(38-16-12-15-36(29-38)42-18-7-6-17-41(42)34-13-4-3-5-14-34)39-26-25-35-23-24-37-30-52-48(33-47(37)46(35)31-39)45-20-9-11-22-51(45)55-52/h3-20,22-33,49H,21H2,1-2H3
InChIKeyADWXQFJIDXJNEE-UHFFFAOYSA-N
XLogP14.95
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.90
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine with MolForge

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Related Compounds

N-phenyl-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779110
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine
CID 156827268
N-[4-(3,4-diphenylphenyl)-3-phenylphenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 176766295
N-(3-naphthalen-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 176766345
N-(9,9-dimethylfluoren-3-yl)-N-(3-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779052
N-(3-dibenzofuran-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 176766371
N-[4-(2,4-diphenylphenyl)phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 176766273
1-N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-yl)-1-N,3-N-diphenyl-3-N-[2-(2-phenylphenyl)phenyl]benzene-1,3-diamine
CID 170779603
3-N-dibenzofuran-2-yl-3-N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-yl)-1-N-phenyl-1-N-[2-(2-phenylphenyl)phenyl]benzene-1,3-diamine
CID 170779522
N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 171607675
N-(6-phenylnaphthalen-2-yl)-N-(3-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779368
N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 171607647

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine?
The IUPAC name of N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine (CID 171732084) is N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine.
What is the SMILES notation for N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine?
The canonical SMILES for N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine is CC1(C)c2cc(N(c3cccc(-c4ccccc4-c4ccccc4)c3)c3ccc4ccc5cc6oc7ccccc7c6cc5c4c3)ccc2C2=CC=CCC21.
What is the InChIKey of N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine?
The InChIKey is ADWXQFJIDXJNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39NO/c1-53(2)49-21-10-8-19-43(49)44-28-27-40(32-50(44)53)54(38-16-12-15-36(29-38)42-18-7-6-17-41(42)34-13-4-3-5-14-34)39-26-25-35-23-24-37-30-52-48(33-47(37)46(35)31-39)45-20-9-11-22-51(45)55-52/h3-20,22-33,49H,21H2,1-2H3.
What are the key properties of N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine?
N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine has a molecular weight of 705.90 g/mol, XLogP of 14.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine is sourced from PubChem (CID 171732084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).