N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-6-amine

C57H37NO — CID 169280318

IUPACN-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-6-amine
SMILESc1ccc(-c2c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4ccccc4c3)c3c4ccccc4oc3c3ccccc23)cc1
InChIInChI=1S/C57H37NO/c1-4-19-39(20-5-1)53-47-27-12-13-28-48(47)56-54(49-29-15-17-31-52(49)59-56)55(53)58(43-33-32-38-18-10-11-21-40(38)36-43)44-34-35-46-45-26-14-16-30-50(45)57(51(46)37-44,41-22-6-2-7-23-41)42-24-8-3-9-25-42/h1-37H
InChIKeyYLPJBHLNAZLUKP-UHFFFAOYSA-N
MW751.93 g/mol
LogP15.39
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-6-amine

N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-6-amine (PubChem CID 169280318) has the molecular formula C57H37NO and a molecular weight of 751.93 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-6-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-6-amine
PubChem CID169280318
Molecular FormulaC57H37NO
Molecular Weight751.93 g/mol
Exact Mass751.29
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-6-amine
SMILESc1ccc(-c2c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4ccccc4c3)c3c4ccccc4oc3c3ccccc23)cc1
InChIInChI=1S/C57H37NO/c1-4-19-39(20-5-1)53-47-27-12-13-28-48(47)56-54(49-29-15-17-31-52(49)59-56)55(53)58(43-33-32-38-18-10-11-21-40(38)36-43)44-34-35-46-45-26-14-16-30-50(45)57(51(46)37-44,41-22-6-2-7-23-41)42-24-8-3-9-25-42/h1-37H
InChIKeyYLPJBHLNAZLUKP-UHFFFAOYSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.93
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine
CID 169280862
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine
CID 155304633
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
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565735
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-2-amine
CID 170676879
N-(2-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324852
N-(4-dibenzofuran-4-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 118298114
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121383311
N-(9,9-diphenylfluoren-2-yl)-4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 168847854
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121383308
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
N-(9,9-diphenylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 157452132

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-6-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-6-amine (CID 169280318) is N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-6-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-6-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-6-amine is c1ccc(-c2c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4ccccc4c3)c3c4ccccc4oc3c3ccccc23)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-6-amine?
The InChIKey is YLPJBHLNAZLUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NO/c1-4-19-39(20-5-1)53-47-27-12-13-28-48(47)56-54(49-29-15-17-31-52(49)59-56)55(53)58(43-33-32-38-18-10-11-21-40(38)36-43)44-34-35-46-45-26-14-16-30-50(45)57(51(46)37-44,41-22-6-2-7-23-41)42-24-8-3-9-25-42/h1-37H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-6-amine?
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-6-amine has a molecular weight of 751.93 g/mol, XLogP of 15.39, 6 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)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-6-amine is sourced from PubChem (CID 169280318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).