N-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine

C55H39NO2 — CID 138583047

IUPACN-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine
SMILESC1=CC2Oc3cc4c(cc3OC2C(N(c2ccccc2)c2ccc(-c3ccccc3-c3ccccc3)cc2)=C1)C1(C2=C4CCC=C2)c2ccccc2-c2ccccc21
InChIInChI=1S/C55H39NO2/c1-3-16-36(17-4-1)40-20-7-8-21-41(40)37-30-32-39(33-31-37)56(38-18-5-2-6-19-38)50-28-15-29-51-54(50)58-53-35-49-45(34-52(53)57-51)44-24-11-14-27-48(44)55(49)46-25-12-9-22-42(46)43-23-10-13-26-47(43)55/h1-10,12-23,25-35,51,54H,11,24H2
InChIKeyBLWNETLLBUUDHJ-UHFFFAOYSA-N
MW745.92 g/mol
LogP13.25
Rot. Bonds5

About N-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine

N-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine (PubChem CID 138583047) has the molecular formula C55H39NO2 and a molecular weight of 745.92 g/mol. Its IUPAC name is N-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine
PubChem CID138583047
Molecular FormulaC55H39NO2
Molecular Weight745.92 g/mol
Exact Mass745.30
IUPAC NameN-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine
SMILESC1=CC2Oc3cc4c(cc3OC2C(N(c2ccccc2)c2ccc(-c3ccccc3-c3ccccc3)cc2)=C1)C1(C2=C4CCC=C2)c2ccccc2-c2ccccc21
InChIInChI=1S/C55H39NO2/c1-3-16-36(17-4-1)40-20-7-8-21-41(40)37-30-32-39(33-31-37)56(38-18-5-2-6-19-38)50-28-15-29-51-54(50)58-53-35-49-45(34-52(53)57-51)44-24-11-14-27-48(44)55(49)46-25-12-9-22-42(46)43-23-10-13-26-47(43)55/h1-10,12-23,25-35,51,54H,11,24H2
InChIKeyBLWNETLLBUUDHJ-UHFFFAOYSA-N
XLogP13.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.92
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine with MolForge

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Related Compounds

N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 89069320
N-(9,9-dimethylfluoren-2-yl)-N,5-diphenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine
CID 170301533
(15R)-N-cyclohexa-1,3-dien-1-yl-N-naphthalen-1-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaen-5-yne-10,9'-fluorene]-19-amine
CID 138582797
(20'S)-N-phenyl-N-(5-phenylcyclohexa-2,4-dien-1-yl)spiro[1,9a-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,16,18-octaene]-16'-amine
CID 138583028
N-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine
CID 138581697
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
N-[4-(5-methylidyne-1,2-dihydrodibenzothiophen-3-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,16,18-octaene]-16'-ylaniline
CID 138582629
N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine
CID 167214690
N-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 146658921
(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
CID 89104631
CID 89104631

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine?
The IUPAC name of N-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine (CID 138583047) is N-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine.
What is the SMILES notation for N-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine?
The canonical SMILES for N-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine is C1=CC2Oc3cc4c(cc3OC2C(N(c2ccccc2)c2ccc(-c3ccccc3-c3ccccc3)cc2)=C1)C1(C2=C4CCC=C2)c2ccccc2-c2ccccc21.
What is the InChIKey of N-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine?
The InChIKey is BLWNETLLBUUDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO2/c1-3-16-36(17-4-1)40-20-7-8-21-41(40)37-30-32-39(33-31-37)56(38-18-5-2-6-19-38)50-28-15-29-51-54(50)58-53-35-49-45(34-52(53)57-51)44-24-11-14-27-48(44)55(49)46-25-12-9-22-42(46)43-23-10-13-26-47(43)55/h1-10,12-23,25-35,51,54H,11,24H2.
What are the key properties of N-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine?
N-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine has a molecular weight of 745.92 g/mol, XLogP of 13.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine is sourced from PubChem (CID 138583047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).