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

C67H44N2O2 — CID 138581923

IUPACN,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
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3ccc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)c4c3Oc3cc5c(cc3O4)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)c2)cc1
InChIInChI=1S/C67H44N2O2/c1-5-23-47(24-6-1)68(48-25-7-2-8-26-48)51-31-19-21-45(41-51)53-39-40-54(46-22-20-32-52(42-46)69(49-27-9-3-10-28-49)50-29-11-4-12-30-50)66-65(53)70-63-43-58-57-35-15-18-38-61(57)67(62(58)44-64(63)71-66)59-36-16-13-33-55(59)56-34-14-17-37-60(56)67/h1-44H
InChIKeyWOALJYXQOZNSBX-UHFFFAOYSA-N
MW909.10 g/mol
LogP18.20
Rot. Bonds8

About 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

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 (PubChem CID 138581923) has the molecular formula C67H44N2O2 and a molecular weight of 909.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID138581923
Molecular FormulaC67H44N2O2
Molecular Weight909.10 g/mol
Exact Mass908.34
IUPAC NameN,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
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3ccc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)c4c3Oc3cc5c(cc3O4)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)c2)cc1
InChIInChI=1S/C67H44N2O2/c1-5-23-47(24-6-1)68(48-25-7-2-8-26-48)51-31-19-21-45(41-51)53-39-40-54(46-22-20-32-52(42-46)69(49-27-9-3-10-28-49)50-29-11-4-12-30-50)66-65(53)70-63-43-58-57-35-15-18-38-61(57)67(62(58)44-64(63)71-66)59-36-16-13-33-55(59)56-34-14-17-37-60(56)67/h1-44H
InChIKeyWOALJYXQOZNSBX-UHFFFAOYSA-N
XLogP18.20
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.10
LogP ≤ 518.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-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]-2'-ylphenyl)benzene-1,4-diamine
CID 129309142
N,N-diphenyl-4-(3-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-ylphenyl)aniline
CID 138582245
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
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-(3,4-diphenylphenyl)-N-(4-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 138582731
3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167177981
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
4-N-[3-[2'-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)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-yl]phenyl]-4-N-phenyl-1-N-(4-phenylphenyl)-1-N-(4-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]-2'-ylphenyl)benzene-1,4-diamine
CID 129309143
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 167176728
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2cccc(-c3ccc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)c4c3Oc3cc5c(cc3O4)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)c2)cc1.
What is the InChIKey of 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?
The InChIKey is WOALJYXQOZNSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2O2/c1-5-23-47(24-6-1)68(48-25-7-2-8-26-48)51-31-19-21-45(41-51)53-39-40-54(46-22-20-32-52(42-46)69(49-27-9-3-10-28-49)50-29-11-4-12-30-50)66-65(53)70-63-43-58-57-35-15-18-38-61(57)67(62(58)44-64(63)71-66)59-36-16-13-33-55(59)56-34-14-17-37-60(56)67/h1-44H.
What are the key properties of 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?
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 has a molecular weight of 909.10 g/mol, XLogP of 18.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138581923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).