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

C59H37NO2 — CID 138581305

IUPACN-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
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3cc5c(cc3O4)-c3ccccc3C53c4ccccc4-c4ccccc43)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C59H37NO2/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)62-58-37-53-49(36-57(58)61-55)48-24-10-13-27-52(48)59(53)50-25-11-8-22-46(50)47-23-9-12-26-51(47)59/h1-37H
InChIKeyMKTRHULLQCPHDU-UHFFFAOYSA-N
MW791.95 g/mol
LogP15.89
Rot. Bonds5

About 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

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 (PubChem CID 138581305) has the molecular formula C59H37NO2 and a molecular weight of 791.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID138581305
Molecular FormulaC59H37NO2
Molecular Weight791.95 g/mol
Exact Mass791.28
IUPAC NameN-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
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3cc5c(cc3O4)-c3ccccc3C53c4ccccc4-c4ccccc43)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C59H37NO2/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)62-58-37-53-49(36-57(58)61-55)48-24-10-13-27-52(48)59(53)50-25-11-8-22-46(50)47-23-9-12-26-51(47)59/h1-37H
InChIKeyMKTRHULLQCPHDU-UHFFFAOYSA-N
XLogP15.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.95
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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-(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-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 170116159
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
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
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-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
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine
CID 145144949
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-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 134215984
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine;9,9-dimethyl-N-(4-phenylphenyl)-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]-5-ylphenyl)fluoren-2-amine;1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-ylphenyl)benzene-1,4-diamine;N-phenyl-4-(4-phenylphenyl)-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]-5-ylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-ylphenyl)aniline;N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-ylphenyl)naphthalen-1-amine
CID 160694503
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167178058

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3cc5c(cc3O4)-c3ccccc3C53c4ccccc4-c4ccccc43)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is MKTRHULLQCPHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NO2/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)62-58-37-53-49(36-57(58)61-55)48-24-10-13-27-52(48)59(53)50-25-11-8-22-46(50)47-23-9-12-26-51(47)59/h1-37H.
What are the key properties of 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?
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 has a molecular weight of 791.95 g/mol, XLogP of 15.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138581305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).