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

C67H43NO — CID 167329607

IUPACN-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)cc32)cc1
InChIInChI=1S/C67H43NO/c1-3-18-49(19-4-1)67(50-20-5-2-6-21-50)61-27-13-11-24-56(61)57-41-38-52(43-62(57)67)68(51-36-32-44(33-37-51)47-35-39-54-48(42-47)31-30-45-16-7-9-22-53(45)54)63-28-14-12-25-58(63)59-26-15-29-64-65(59)60-40-34-46-17-8-10-23-55(46)66(60)69-64/h1-43H
InChIKeyMLXBUYUVKWUWKH-UHFFFAOYSA-N
MW878.09 g/mol
LogP18.21
Rot. Bonds7

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

N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine (PubChem CID 167329607) has the molecular formula C67H43NO and a molecular weight of 878.09 g/mol. Its IUPAC name is N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine
PubChem CID167329607
Molecular FormulaC67H43NO
Molecular Weight878.09 g/mol
Exact Mass877.33
IUPAC NameN-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)cc32)cc1
InChIInChI=1S/C67H43NO/c1-3-18-49(19-4-1)67(50-20-5-2-6-21-50)61-27-13-11-24-56(61)57-41-38-52(43-62(57)67)68(51-36-32-44(33-37-51)47-35-39-54-48(42-47)31-30-45-16-7-9-22-53(45)54)63-28-14-12-25-58(63)59-26-15-29-64-65(59)60-40-34-46-17-8-10-23-55(46)66(60)69-64/h1-43H
InChIKeyMLXBUYUVKWUWKH-UHFFFAOYSA-N
XLogP18.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.09
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167330009
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167330061
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-7-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167330938
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 167330969
N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 166939749
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121378
N-(2-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324852
N-[4-(3,4-diphenylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167331127
N-(9,9-diphenylfluoren-2-yl)-4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 168847854
N-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167330275
N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167329404

Frequently Asked Questions

What is the IUPAC name of N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine (CID 167329607) is N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)cc32)cc1.
What is the InChIKey of N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine?
The InChIKey is MLXBUYUVKWUWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NO/c1-3-18-49(19-4-1)67(50-20-5-2-6-21-50)61-27-13-11-24-56(61)57-41-38-52(43-62(57)67)68(51-36-32-44(33-37-51)47-35-39-54-48(42-47)31-30-45-16-7-9-22-53(45)54)63-28-14-12-25-58(63)59-26-15-29-64-65(59)60-40-34-46-17-8-10-23-55(46)66(60)69-64/h1-43H.
What are the key properties of N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine?
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine has a molecular weight of 878.09 g/mol, XLogP of 18.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 167329607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).