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

C61H39NO2 — CID 138582731

IUPACN-(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
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3cc5c(cc3O4)-c3ccccc3C53c4ccccc4-c4ccccc43)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C61H39NO2/c1-4-16-40(17-5-1)41-28-30-44(31-29-41)62(45-32-34-47(42-18-6-2-7-19-42)51(36-45)43-20-8-3-9-21-43)46-33-35-57-58(37-46)64-60-39-56-52(38-59(60)63-57)50-24-12-15-27-55(50)61(56)53-25-13-10-22-48(53)49-23-11-14-26-54(49)61/h1-39H
InChIKeyHDLDTTPFDUIMIG-UHFFFAOYSA-N
MW817.99 g/mol
LogP16.40
Rot. Bonds6

About 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

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 (PubChem CID 138582731) has the molecular formula C61H39NO2 and a molecular weight of 817.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID138582731
Molecular FormulaC61H39NO2
Molecular Weight817.99 g/mol
Exact Mass817.30
IUPAC NameN-(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
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3cc5c(cc3O4)-c3ccccc3C53c4ccccc4-c4ccccc43)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C61H39NO2/c1-4-16-40(17-5-1)41-28-30-44(31-29-41)62(45-32-34-47(42-18-6-2-7-19-42)51(36-45)43-20-8-3-9-21-43)46-33-35-57-58(37-46)64-60-39-56-52(38-59(60)63-57)50-24-12-15-27-55(50)61(56)53-25-13-10-22-48(53)49-23-11-14-26-54(49)61/h1-39H
InChIKeyHDLDTTPFDUIMIG-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-(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 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-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134194372
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-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121477535
4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 137469859
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-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,12'-indeno[2,1-a]oxanthrene]-2'-amine
CID 138582401
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine
CID 166653983
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
N-naphthalen-2-yl-N-phenylspiro[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]-18-amine
CID 138581655

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3cc5c(cc3O4)-c3ccccc3C53c4ccccc4-c4ccccc43)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is HDLDTTPFDUIMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NO2/c1-4-16-40(17-5-1)41-28-30-44(31-29-41)62(45-32-34-47(42-18-6-2-7-19-42)51(36-45)43-20-8-3-9-21-43)46-33-35-57-58(37-46)64-60-39-56-52(38-59(60)63-57)50-24-12-15-27-55(50)61(56)53-25-13-10-22-48(53)49-23-11-14-26-54(49)61/h1-39H.
What are the key properties of 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?
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 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-(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 is sourced from PubChem (CID 138582731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).