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

C61H39NO2 — CID 138582773

IUPACN-(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
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)Oc3cc5c(cc3O4)-c3ccccc3C53c4ccccc4-c4ccccc43)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C61H39NO2/c1-4-17-40(18-5-1)43-23-16-24-44(35-43)62(45-31-33-47(41-19-6-2-7-20-41)51(36-45)42-21-8-3-9-22-42)46-32-34-57-58(37-46)64-60-39-56-52(38-59(60)63-57)50-27-12-15-30-55(50)61(56)53-28-13-10-25-48(53)49-26-11-14-29-54(49)61/h1-39H
InChIKeyUUDGOUFTRJQBBM-UHFFFAOYSA-N
MW817.99 g/mol
LogP16.40
Rot. Bonds6

About 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

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 (PubChem CID 138582773) has the molecular formula C61H39NO2 and a molecular weight of 817.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID138582773
Molecular FormulaC61H39NO2
Molecular Weight817.99 g/mol
Exact Mass817.30
IUPAC NameN-(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
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)Oc3cc5c(cc3O4)-c3ccccc3C53c4ccccc4-c4ccccc43)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C61H39NO2/c1-4-17-40(18-5-1)43-23-16-24-44(35-43)62(45-31-33-47(41-19-6-2-7-20-41)51(36-45)42-21-8-3-9-22-42)46-32-34-57-58(37-46)64-60-39-56-52(38-59(60)63-57)50-27-12-15-30-55(50)61(56)53-28-13-10-25-48(53)49-26-11-14-29-54(49)61/h1-39H
InChIKeyUUDGOUFTRJQBBM-UHFFFAOYSA-N
XLogP16.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.99
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 167177152
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
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-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-indeno[2,1-a]oxanthrene]-2'-amine
CID 138582401
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 167176728
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
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167177981
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-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-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476091

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc(N(c3ccc4c(c3)Oc3cc5c(cc3O4)-c3ccccc3C53c4ccccc4-c4ccccc43)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is UUDGOUFTRJQBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NO2/c1-4-17-40(18-5-1)43-23-16-24-44(35-43)62(45-31-33-47(41-19-6-2-7-20-41)51(36-45)42-21-8-3-9-22-42)46-32-34-57-58(37-46)64-60-39-56-52(38-59(60)63-57)50-27-12-15-30-55(50)61(56)53-28-13-10-25-48(53)49-26-11-14-29-54(49)61/h1-39H.
What are the key properties of 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?
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 has a molecular weight of 817.99 g/mol, XLogP of 16.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138582773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).