N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine

C53H35NO — CID 167330969

IUPACN-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4oc5c6ccccc6ccc5c34)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C53H35NO/c1-4-16-38(17-5-1)53(39-18-6-2-7-19-39)48-25-13-12-23-45(48)46-34-32-42(35-49(46)53)54(40-20-8-3-9-21-40)41-30-27-37(28-31-41)43-24-14-26-50-51(43)47-33-29-36-15-10-11-22-44(36)52(47)55-50/h1-35H
InChIKeyLBGVSMORTKYHNC-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.24
Rot. Bonds6

About N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine

N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine (PubChem CID 167330969) has the molecular formula C53H35NO and a molecular weight of 701.87 g/mol. Its IUPAC name is N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine
PubChem CID167330969
Molecular FormulaC53H35NO
Molecular Weight701.87 g/mol
Exact Mass701.27
IUPAC NameN-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4oc5c6ccccc6ccc5c34)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C53H35NO/c1-4-16-38(17-5-1)53(39-18-6-2-7-19-39)48-25-13-12-23-45(48)46-34-32-42(35-49(46)53)54(40-20-8-3-9-21-40)41-30-27-37(28-31-41)43-24-14-26-50-51(43)47-33-29-36-15-10-11-22-44(36)52(47)55-50/h1-35H
InChIKeyLBGVSMORTKYHNC-UHFFFAOYSA-N
XLogP14.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167330938
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167330204
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 177121964
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167329607
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167330009
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 170535410
N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 166939749
N-(4-dibenzofuran-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 166939309
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565735
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121378
3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166939687
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166939628

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine?
The IUPAC name of N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine (CID 167330969) is N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine.
What is the SMILES notation for N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine?
The canonical SMILES for N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine is c1ccc(N(c2ccc(-c3cccc4oc5c6ccccc6ccc5c34)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine?
The InChIKey is LBGVSMORTKYHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO/c1-4-16-38(17-5-1)53(39-18-6-2-7-19-39)48-25-13-12-23-45(48)46-34-32-42(35-49(46)53)54(40-20-8-3-9-21-40)41-30-27-37(28-31-41)43-24-14-26-50-51(43)47-33-29-36-15-10-11-22-44(36)52(47)55-50/h1-35H.
What are the key properties of N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine?
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine has a molecular weight of 701.87 g/mol, XLogP of 14.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 167330969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).