N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine

C65H43NO — CID 176597592

IUPACN-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3-c3cc(-c5ccccc5)ccc3-c3cc5ccccc5cc3O4)cc2)cc1
InChIInChI=1S/C65H43NO/c1-5-18-44(19-6-1)46-32-35-52(36-33-46)66(53-37-39-56-55-28-15-16-29-59(55)65(60(56)43-53,50-24-9-3-10-25-50)51-26-11-4-12-27-51)61-30-17-31-62-64(61)58-41-49(45-20-7-2-8-21-45)34-38-54(58)57-40-47-22-13-14-23-48(47)42-63(57)67-62/h1-43H
InChIKeyRPMGZHJZKNKLTP-UHFFFAOYSA-N
MW854.07 g/mol
LogP17.45
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine

N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine (PubChem CID 176597592) has the molecular formula C65H43NO and a molecular weight of 854.07 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine
PubChem CID176597592
Molecular FormulaC65H43NO
Molecular Weight854.07 g/mol
Exact Mass853.33
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3-c3cc(-c5ccccc5)ccc3-c3cc5ccccc5cc3O4)cc2)cc1
InChIInChI=1S/C65H43NO/c1-5-18-44(19-6-1)46-32-35-52(36-33-46)66(53-37-39-56-55-28-15-16-29-59(55)65(60(56)43-53,50-24-9-3-10-25-50)51-26-11-4-12-27-51)61-30-17-31-62-64(61)58-41-49(45-20-7-2-8-21-45)34-38-54(58)57-40-47-22-13-14-23-48(47)42-63(57)67-62/h1-43H
InChIKeyRPMGZHJZKNKLTP-UHFFFAOYSA-N
XLogP17.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.07
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-3-amine
CID 176597465
N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine
CID 176598016
N-(9,9-diphenylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine
CID 176597900
N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-3-amine
CID 176597813
9,9-diphenyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)fluoren-2-amine
CID 174295753
N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 174307923
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475861
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166566308
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
CID 90154251
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681
N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166031981

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine (CID 176597592) is N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3-c3cc(-c5ccccc5)ccc3-c3cc5ccccc5cc3O4)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine?
The InChIKey is RPMGZHJZKNKLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NO/c1-5-18-44(19-6-1)46-32-35-52(36-33-46)66(53-37-39-56-55-28-15-16-29-59(55)65(60(56)43-53,50-24-9-3-10-25-50)51-26-11-4-12-27-51)61-30-17-31-62-64(61)58-41-49(45-20-7-2-8-21-45)34-38-54(58)57-40-47-22-13-14-23-48(47)42-63(57)67-62/h1-43H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine?
N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine has a molecular weight of 854.07 g/mol, XLogP of 17.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine is sourced from PubChem (CID 176597592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).