N-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine

C56H37NO2 — CID 138582612

IUPACN-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine
SMILESc1ccc(-c2ccccc2-c2cccc(N(c3ccccc3)c3cccc4c3Oc3cc5c(cc3O4)C3(c4ccccc4Cc4ccccc43)c3ccccc3-5)c2)cc1
InChIInChI=1S/C56H37NO2/c1-3-17-37(18-4-1)43-25-9-10-26-44(43)38-21-15-24-42(34-38)57(41-22-5-2-6-23-41)51-31-16-32-52-55(51)59-53-35-46-45-27-11-14-30-49(45)56(50(46)36-54(53)58-52)47-28-12-7-19-39(47)33-40-20-8-13-29-48(40)56/h1-32,34-36H,33H2
InChIKeyCBRURIGJFXAYTR-UHFFFAOYSA-N
MW755.92 g/mol
LogP14.66
Rot. Bonds5

About N-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine

N-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine (PubChem CID 138582612) has the molecular formula C56H37NO2 and a molecular weight of 755.92 g/mol. Its IUPAC name is N-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine.

Molecular Properties

Compound NameN-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine
PubChem CID138582612
Molecular FormulaC56H37NO2
Molecular Weight755.92 g/mol
Exact Mass755.28
IUPAC NameN-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine
SMILESc1ccc(-c2ccccc2-c2cccc(N(c3ccccc3)c3cccc4c3Oc3cc5c(cc3O4)C3(c4ccccc4Cc4ccccc43)c3ccccc3-5)c2)cc1
InChIInChI=1S/C56H37NO2/c1-3-17-37(18-4-1)43-25-9-10-26-44(43)38-21-15-24-42(34-38)57(41-22-5-2-6-23-41)51-31-16-32-52-55(51)59-53-35-46-45-27-11-14-30-49(45)56(50(46)36-54(53)58-52)47-28-12-7-19-39(47)33-40-20-8-13-29-48(40)56/h1-32,34-36H,33H2
InChIKeyCBRURIGJFXAYTR-UHFFFAOYSA-N
XLogP14.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.92
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine with MolForge

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Related Compounds

N-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine
CID 138582243
N-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine
CID 138582255
N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-16-amine
CID 138582582
N,N-diphenyl-3-[16-[3-(N-phenylanilino)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-yl]aniline
CID 138581923
N,N-dinaphthalen-2-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine
CID 138582863
N-(4-dibenzofuran-4-ylphenyl)-N-phenylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine
CID 138582786
N-(3-phenylphenyl)-N-(3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-16-ylphenyl)dibenzofuran-1-amine
CID 138582622
N-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine
CID 138581305
N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-16-amine
CID 163919573
N,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine
CID 141476561
N-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline
CID 147861755
N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine
CID 138582773

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine?
The IUPAC name of N-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine (CID 138582612) is N-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine.
What is the SMILES notation for N-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine?
The canonical SMILES for N-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine is c1ccc(-c2ccccc2-c2cccc(N(c3ccccc3)c3cccc4c3Oc3cc5c(cc3O4)C3(c4ccccc4Cc4ccccc43)c3ccccc3-5)c2)cc1.
What is the InChIKey of N-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine?
The InChIKey is CBRURIGJFXAYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO2/c1-3-17-37(18-4-1)43-25-9-10-26-44(43)38-21-15-24-42(34-38)57(41-22-5-2-6-23-41)51-31-16-32-52-55(51)59-53-35-46-45-27-11-14-30-49(45)56(50(46)36-54(53)58-52)47-28-12-7-19-39(47)33-40-20-8-13-29-48(40)56/h1-32,34-36H,33H2.
What are the key properties of N-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine?
N-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine has a molecular weight of 755.92 g/mol, XLogP of 14.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine is sourced from PubChem (CID 138582612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).