N-[2-[3-(4-naphtho[2,1-b][1]benzofuran-11-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine

C74H50N2O — CID 167086422

IUPACN-[2-[3-(4-naphtho[2,1-b][1]benzofuran-11-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5oc6ccc7ccccc7c6c45)cc3)c3cccc(-c4ccccc4N(c4cccc(-c5ccccc5)c4)c4ccc5cc(-c6ccccc6)ccc5c4)c3)c2)cc1
InChIInChI=1S/C74H50N2O/c1-4-18-51(19-5-1)56-25-14-28-63(47-56)75(62-42-38-55(39-43-62)69-33-17-35-71-73(69)74-68-32-11-10-24-54(68)41-45-72(74)77-71)64-29-16-27-61(50-64)67-31-12-13-34-70(67)76(65-30-15-26-57(48-65)52-20-6-2-7-21-52)66-44-40-59-46-58(36-37-60(59)49-66)53-22-8-3-9-23-53/h1-50H
InChIKeyBCRXBQBWLJYVAI-UHFFFAOYSA-N
MW983.23 g/mol
LogP21.17
Rot. Bonds11

About N-[2-[3-(4-naphtho[2,1-b][1]benzofuran-11-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine

N-[2-[3-(4-naphtho[2,1-b][1]benzofuran-11-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine (PubChem CID 167086422) has the molecular formula C74H50N2O and a molecular weight of 983.23 g/mol. Its IUPAC name is N-[2-[3-(4-naphtho[2,1-b][1]benzofuran-11-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[2-[3-(4-naphtho[2,1-b][1]benzofuran-11-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine
PubChem CID167086422
Molecular FormulaC74H50N2O
Molecular Weight983.23 g/mol
Exact Mass982.39
IUPAC NameN-[2-[3-(4-naphtho[2,1-b][1]benzofuran-11-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5oc6ccc7ccccc7c6c45)cc3)c3cccc(-c4ccccc4N(c4cccc(-c5ccccc5)c4)c4ccc5cc(-c6ccccc6)ccc5c4)c3)c2)cc1
InChIInChI=1S/C74H50N2O/c1-4-18-51(19-5-1)56-25-14-28-63(47-56)75(62-42-38-55(39-43-62)69-33-17-35-71-73(69)74-68-32-11-10-24-54(68)41-45-72(74)77-71)64-29-16-27-61(50-64)67-31-12-13-34-70(67)76(65-30-15-26-57(48-65)52-20-6-2-7-21-52)66-44-40-59-46-58(36-37-60(59)49-66)53-22-8-3-9-23-53/h1-50H
InChIKeyBCRXBQBWLJYVAI-UHFFFAOYSA-N
XLogP21.17
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.23
LogP ≤ 521.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 170535022
N-(4-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-phenanthren-3-ylaniline
CID 176810458
N-(4-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-phenanthren-2-ylaniline
CID 176810690
N-(4-dibenzofuran-2-ylphenyl)-2-phenanthren-2-yl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-3-(3-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-3-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenanthren-2-ylphenyl)phenyl]-4-phenylaniline
CID 157300254
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-6-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126967
2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167324734
N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167329791
N-(4-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810397
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-2-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 167086977
2-[3-(N-(4-dibenzofuran-1-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167087132
N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086262
N,N-bis(4-naphthalen-1-ylphenyl)-4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)aniline;4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 165033108

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-naphtho[2,1-b][1]benzofuran-11-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[2-[3-(4-naphtho[2,1-b][1]benzofuran-11-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine (CID 167086422) is N-[2-[3-(4-naphtho[2,1-b][1]benzofuran-11-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[2-[3-(4-naphtho[2,1-b][1]benzofuran-11-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[2-[3-(4-naphtho[2,1-b][1]benzofuran-11-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine is c1ccc(-c2cccc(N(c3ccc(-c4cccc5oc6ccc7ccccc7c6c45)cc3)c3cccc(-c4ccccc4N(c4cccc(-c5ccccc5)c4)c4ccc5cc(-c6ccccc6)ccc5c4)c3)c2)cc1.
What is the InChIKey of N-[2-[3-(4-naphtho[2,1-b][1]benzofuran-11-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine?
The InChIKey is BCRXBQBWLJYVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N2O/c1-4-18-51(19-5-1)56-25-14-28-63(47-56)75(62-42-38-55(39-43-62)69-33-17-35-71-73(69)74-68-32-11-10-24-54(68)41-45-72(74)77-71)64-29-16-27-61(50-64)67-31-12-13-34-70(67)76(65-30-15-26-57(48-65)52-20-6-2-7-21-52)66-44-40-59-46-58(36-37-60(59)49-66)53-22-8-3-9-23-53/h1-50H.
What are the key properties of N-[2-[3-(4-naphtho[2,1-b][1]benzofuran-11-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine?
N-[2-[3-(4-naphtho[2,1-b][1]benzofuran-11-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine has a molecular weight of 983.23 g/mol, XLogP of 21.17, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-naphtho[2,1-b][1]benzofuran-11-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 167086422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).