5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine

C59H35NO2 — CID 170536164

IUPAC5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cc(-c3ccc4ccccc4c3)cc3c2oc2ccc4oc5ccccc5c4c23)cc1
InChIInChI=1S/C59H35NO2/c1-2-16-40(17-3-1)60(41-28-29-45-44-20-8-12-24-50(44)59(51(45)35-41)48-22-10-6-18-42(48)43-19-7-11-23-49(43)59)52-34-39(38-27-26-36-14-4-5-15-37(36)32-38)33-47-57-55(62-58(47)52)31-30-54-56(57)46-21-9-13-25-53(46)61-54/h1-35H
InChIKeyHRUQQXWEEMJYTH-UHFFFAOYSA-N
MW789.93 g/mol
LogP16.12
Rot. Bonds4

About 5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine

5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine (PubChem CID 170536164) has the molecular formula C59H35NO2 and a molecular weight of 789.93 g/mol. Its IUPAC name is 5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine.

Molecular Properties

Compound Name5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
PubChem CID170536164
Molecular FormulaC59H35NO2
Molecular Weight789.93 g/mol
Exact Mass789.27
IUPAC Name5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cc(-c3ccc4ccccc4c3)cc3c2oc2ccc4oc5ccccc5c4c23)cc1
InChIInChI=1S/C59H35NO2/c1-2-16-40(17-3-1)60(41-28-29-45-44-20-8-12-24-50(44)59(51(45)35-41)48-22-10-6-18-42(48)43-19-7-11-23-49(43)59)52-34-39(38-27-26-36-14-4-5-15-37(36)32-38)33-47-57-55(62-58(47)52)31-30-54-56(57)46-21-9-13-25-53(46)61-54/h1-35H
InChIKeyHRUQQXWEEMJYTH-UHFFFAOYSA-N
XLogP16.12
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.93
LogP ≤ 516.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine with MolForge

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Related Compounds

5-phenanthren-9-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170536382
N,5-bis(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170536283
N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 159444261
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177113965
N-(2-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324852
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 135277308
N-(9,9-diphenylfluoren-2-yl)-4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 168847854
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 170535955
N,8-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675516
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177114159
N-(4-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168807492
2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-8-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 176630547

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine?
The IUPAC name of 5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine (CID 170536164) is 5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine.
What is the SMILES notation for 5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine?
The canonical SMILES for 5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cc(-c3ccc4ccccc4c3)cc3c2oc2ccc4oc5ccccc5c4c23)cc1.
What is the InChIKey of 5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine?
The InChIKey is HRUQQXWEEMJYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35NO2/c1-2-16-40(17-3-1)60(41-28-29-45-44-20-8-12-24-50(44)59(51(45)35-41)48-22-10-6-18-42(48)43-19-7-11-23-49(43)59)52-34-39(38-27-26-36-14-4-5-15-37(36)32-38)33-47-57-55(62-58(47)52)31-30-54-56(57)46-21-9-13-25-53(46)61-54/h1-35H.
What are the key properties of 5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine?
5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine has a molecular weight of 789.93 g/mol, XLogP of 16.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine is sourced from PubChem (CID 170536164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).