(15R)-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),2,4,6,8,11,16,18-octaene-10,9'-fluorene]-18-amine

C59H39NO2 — CID 138581919

IUPAC(15R)-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),2,4,6,8,11,16,18-octaene-10,9'-fluorene]-18-amine
SMILESC1=C[C@H]2Oc3cc4c(cc3OC2C=C1N(c1ccc(-c2ccccc2-c2ccccc2)cc1)c1cccc2ccccc12)-c1ccccc1C41c2ccccc2-c2ccccc21
InChIInChI=1S/C59H39NO2/c1-2-15-38(16-3-1)43-19-6-7-20-44(43)40-29-31-41(32-30-40)60(54-28-14-18-39-17-4-5-21-45(39)54)42-33-34-55-56(35-42)62-57-36-49-48-24-10-13-27-52(48)59(53(49)37-58(57)61-55)50-25-11-8-22-46(50)47-23-9-12-26-51(47)59/h1-37,55-56H/t55-,56?/m1/s1
InChIKeyRIHIFLABSBXAIB-JLFNPXICSA-N
MW793.97 g/mol
LogP14.32
Rot. Bonds5

About (15R)-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),2,4,6,8,11,16,18-octaene-10,9'-fluorene]-18-amine

(15R)-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),2,4,6,8,11,16,18-octaene-10,9'-fluorene]-18-amine (PubChem CID 138581919) has the molecular formula C59H39NO2 and a molecular weight of 793.97 g/mol. Its IUPAC name is (15R)-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),2,4,6,8,11,16,18-octaene-10,9'-fluorene]-18-amine.

Molecular Properties

Compound Name(15R)-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),2,4,6,8,11,16,18-octaene-10,9'-fluorene]-18-amine
PubChem CID138581919
Molecular FormulaC59H39NO2
Molecular Weight793.97 g/mol
Exact Mass793.30
IUPAC Name(15R)-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),2,4,6,8,11,16,18-octaene-10,9'-fluorene]-18-amine
SMILESC1=C[C@H]2Oc3cc4c(cc3OC2C=C1N(c1ccc(-c2ccccc2-c2ccccc2)cc1)c1cccc2ccccc12)-c1ccccc1C41c2ccccc2-c2ccccc21
InChIInChI=1S/C59H39NO2/c1-2-15-38(16-3-1)43-19-6-7-20-44(43)40-29-31-41(32-30-40)60(54-28-14-18-39-17-4-5-21-45(39)54)42-33-34-55-56(35-42)62-57-36-49-48-24-10-13-27-52(48)59(53(49)37-58(57)61-55)50-25-11-8-22-46(50)47-23-9-12-26-51(47)59/h1-37,55-56H/t55-,56?/m1/s1
InChIKeyRIHIFLABSBXAIB-JLFNPXICSA-N
XLogP14.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.97
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (15R)-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),2,4,6,8,11,16,18-octaene-10,9'-fluorene]-18-amine with MolForge

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Related Compounds

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-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine
CID 145144949
N-phenyl-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)naphthalen-1-amine
CID 129309024
N-phenyl-N-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 134215984
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 156664766
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 146247670
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
CID 145144966
N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 170116159
N-naphthalen-2-yl-4'-[4-[4-[naphthalen-1-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177958
7'-chloro-N-naphthalen-1-yl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 165158317

Frequently Asked Questions

What is the IUPAC name of (15R)-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),2,4,6,8,11,16,18-octaene-10,9'-fluorene]-18-amine?
The IUPAC name of (15R)-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),2,4,6,8,11,16,18-octaene-10,9'-fluorene]-18-amine (CID 138581919) is (15R)-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),2,4,6,8,11,16,18-octaene-10,9'-fluorene]-18-amine.
What is the SMILES notation for (15R)-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),2,4,6,8,11,16,18-octaene-10,9'-fluorene]-18-amine?
The canonical SMILES for (15R)-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),2,4,6,8,11,16,18-octaene-10,9'-fluorene]-18-amine is C1=C[C@H]2Oc3cc4c(cc3OC2C=C1N(c1ccc(-c2ccccc2-c2ccccc2)cc1)c1cccc2ccccc12)-c1ccccc1C41c2ccccc2-c2ccccc21.
What is the InChIKey of (15R)-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),2,4,6,8,11,16,18-octaene-10,9'-fluorene]-18-amine?
The InChIKey is RIHIFLABSBXAIB-JLFNPXICSA-N. The full InChI is InChI=1S/C59H39NO2/c1-2-15-38(16-3-1)43-19-6-7-20-44(43)40-29-31-41(32-30-40)60(54-28-14-18-39-17-4-5-21-45(39)54)42-33-34-55-56(35-42)62-57-36-49-48-24-10-13-27-52(48)59(53(49)37-58(57)61-55)50-25-11-8-22-46(50)47-23-9-12-26-51(47)59/h1-37,55-56H/t55-,56?/m1/s1.
What are the key properties of (15R)-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),2,4,6,8,11,16,18-octaene-10,9'-fluorene]-18-amine?
(15R)-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),2,4,6,8,11,16,18-octaene-10,9'-fluorene]-18-amine has a molecular weight of 793.97 g/mol, XLogP of 14.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (15R)-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),2,4,6,8,11,16,18-octaene-10,9'-fluorene]-18-amine is sourced from PubChem (CID 138581919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).