N-naphthalen-2-yl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-9,9-diphenylfluoren-2-amine

C65H41NO — CID 167121585

IUPACN-naphthalen-2-yl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc(-c5cccc6c7ccc8oc9ccccc9c8c7c7ccccc7c56)c4)c4ccc5ccccc5c4)cc32)cc1
InChIInChI=1S/C65H41NO/c1-3-20-45(21-4-1)65(46-22-5-2-6-23-46)58-31-13-11-25-51(58)52-36-35-49(41-59(52)65)66(48-34-33-42-17-7-8-18-43(42)39-48)47-24-15-19-44(40-47)50-29-16-30-54-56-37-38-61-64(57-28-12-14-32-60(57)67-61)63(56)55-27-10-9-26-53(55)62(50)54/h1-41H
InChIKeyCMDOANQNXXNYNU-UHFFFAOYSA-N
MW852.05 g/mol
LogP17.70
Rot. Bonds6

About N-naphthalen-2-yl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-9,9-diphenylfluoren-2-amine

N-naphthalen-2-yl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-9,9-diphenylfluoren-2-amine (PubChem CID 167121585) has the molecular formula C65H41NO and a molecular weight of 852.05 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-9,9-diphenylfluoren-2-amine
PubChem CID167121585
Molecular FormulaC65H41NO
Molecular Weight852.05 g/mol
Exact Mass851.32
IUPAC NameN-naphthalen-2-yl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc(-c5cccc6c7ccc8oc9ccccc9c8c7c7ccccc7c56)c4)c4ccc5ccccc5c4)cc32)cc1
InChIInChI=1S/C65H41NO/c1-3-20-45(21-4-1)65(46-22-5-2-6-23-46)58-31-13-11-25-51(58)52-36-35-49(41-59(52)65)66(48-34-33-42-17-7-8-18-43(42)39-48)47-24-15-19-44(40-47)50-29-16-30-54-56-37-38-61-64(57-28-12-14-32-60(57)67-61)63(56)55-27-10-9-26-53(55)62(50)54/h1-41H
InChIKeyCMDOANQNXXNYNU-UHFFFAOYSA-N
XLogP17.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.05
LogP ≤ 517.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-naphthalen-2-yl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-9,9-diphenylfluoren-2-amine with MolForge

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Related Compounds

N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 170535410
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565735
N-(2-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324852
N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565747
N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 167121398
N-(4-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168807492
9,9-dimethyl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 170667736
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121381687
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 142589034
N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)aniline
CID 161322711
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]fluoren-2-amine
CID 167121573
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167330938

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-naphthalen-2-yl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-9,9-diphenylfluoren-2-amine (CID 167121585) is N-naphthalen-2-yl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-naphthalen-2-yl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-9,9-diphenylfluoren-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc(-c5cccc6c7ccc8oc9ccccc9c8c7c7ccccc7c56)c4)c4ccc5ccccc5c4)cc32)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-9,9-diphenylfluoren-2-amine?
The InChIKey is CMDOANQNXXNYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41NO/c1-3-20-45(21-4-1)65(46-22-5-2-6-23-46)58-31-13-11-25-51(58)52-36-35-49(41-59(52)65)66(48-34-33-42-17-7-8-18-43(42)39-48)47-24-15-19-44(40-47)50-29-16-30-54-56-37-38-61-64(57-28-12-14-32-60(57)67-61)63(56)55-27-10-9-26-53(55)62(50)54/h1-41H.
What are the key properties of N-naphthalen-2-yl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-9,9-diphenylfluoren-2-amine?
N-naphthalen-2-yl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-9,9-diphenylfluoren-2-amine has a molecular weight of 852.05 g/mol, XLogP of 17.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 167121585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).