N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine

C55H37NO2 — CID 138581502

IUPACN-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2cc3c(cc21)Oc1c(cccc1N(c1ccc(-c2ccccc2)cc1)c1ccccc1-c1ccccc1)O3
InChIInChI=1S/C55H37NO2/c1-3-16-36(17-4-1)37-30-32-39(33-31-37)56(49-27-14-10-20-40(49)38-18-5-2-6-19-38)50-28-15-29-51-54(50)58-53-35-48-44(34-52(53)57-51)43-23-9-13-26-47(43)55(48)45-24-11-7-21-41(45)42-22-8-12-25-46(42)55/h1-11,13-24,26-35H,12,25H2
InChIKeyVTXJPOQFGNSCKI-UHFFFAOYSA-N
MW743.91 g/mol
LogP14.82
Rot. Bonds5

About N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine

N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine (PubChem CID 138581502) has the molecular formula C55H37NO2 and a molecular weight of 743.91 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine
PubChem CID138581502
Molecular FormulaC55H37NO2
Molecular Weight743.91 g/mol
Exact Mass743.28
IUPAC NameN-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2cc3c(cc21)Oc1c(cccc1N(c1ccc(-c2ccccc2)cc1)c1ccccc1-c1ccccc1)O3
InChIInChI=1S/C55H37NO2/c1-3-16-36(17-4-1)37-30-32-39(33-31-37)56(49-27-14-10-20-40(49)38-18-5-2-6-19-38)50-28-15-29-51-54(50)58-53-35-48-44(34-52(53)57-51)43-23-9-13-26-47(43)55(48)45-24-11-7-21-41(45)42-22-8-12-25-46(42)55/h1-11,13-24,26-35H,12,25H2
InChIKeyVTXJPOQFGNSCKI-UHFFFAOYSA-N
XLogP14.82
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.91
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine with MolForge

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Related Compounds

2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline
CID 138581234
N-phenyl-N-[2-(4-phenylphenyl)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-amine
CID 138582255
N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)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]-16-amine
CID 138582582
N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-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]-18'-ylaniline
CID 138581553
N-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine
CID 138582243
N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-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]-17'-ylphenyl)naphthalen-2-amine
CID 138583044
N-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene-10,9'-fluorene]-18-amine
CID 138581498
7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine
CID 142521254
N-cyclohexa-1,5-dien-1-yl-N-(4-dibenzofuran-3-ylphenyl)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]-16-amine
CID 138581681
N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine
CID 138582677
N-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-amine
CID 167176973
N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[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]-16-amine
CID 163919573

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine?
The IUPAC name of N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine (CID 138581502) is N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine is C1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2cc3c(cc21)Oc1c(cccc1N(c1ccc(-c2ccccc2)cc1)c1ccccc1-c1ccccc1)O3.
What is the InChIKey of N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine?
The InChIKey is VTXJPOQFGNSCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO2/c1-3-16-36(17-4-1)37-30-32-39(33-31-37)56(49-27-14-10-20-40(49)38-18-5-2-6-19-38)50-28-15-29-51-54(50)58-53-35-48-44(34-52(53)57-51)43-23-9-13-26-47(43)55(48)45-24-11-7-21-41(45)42-22-8-12-25-46(42)55/h1-11,13-24,26-35H,12,25H2.
What are the key properties of N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine?
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine has a molecular weight of 743.91 g/mol, XLogP of 14.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine is sourced from PubChem (CID 138581502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).