2-cyclohexa-2,4-dien-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-4-phenylaniline

C56H39NO — CID 174275550

IUPAC2-cyclohexa-2,4-dien-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-4-phenylaniline
SMILESC1=CCC(c2cc(-c3ccccc3)ccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccccc2-c2cccc3c2oc2cc4ccccc4cc23)C=C1
InChIInChI=1S/C56H39NO/c1-3-16-38(17-4-1)43-32-33-54(51(35-43)40-18-5-2-6-19-40)57(45-25-13-24-44(34-45)47-28-14-23-39-20-9-10-26-46(39)47)53-31-12-11-27-48(53)49-29-15-30-50-52-36-41-21-7-8-22-42(41)37-55(52)58-56(49)50/h1-18,20-37,40H,19H2
InChIKeyHMSGOZSPRMUSQP-UHFFFAOYSA-N
MW741.93 g/mol
LogP15.96
Rot. Bonds7

About 2-cyclohexa-2,4-dien-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-4-phenylaniline

2-cyclohexa-2,4-dien-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-4-phenylaniline (PubChem CID 174275550) has the molecular formula C56H39NO and a molecular weight of 741.93 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-4-phenylaniline.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-4-phenylaniline
PubChem CID174275550
Molecular FormulaC56H39NO
Molecular Weight741.93 g/mol
Exact Mass741.30
IUPAC Name2-cyclohexa-2,4-dien-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-4-phenylaniline
SMILESC1=CCC(c2cc(-c3ccccc3)ccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccccc2-c2cccc3c2oc2cc4ccccc4cc23)C=C1
InChIInChI=1S/C56H39NO/c1-3-16-38(17-4-1)43-32-33-54(51(35-43)40-18-5-2-6-19-40)57(45-25-13-24-44(34-45)47-28-14-23-39-20-9-10-26-46(39)47)53-31-12-11-27-48(53)49-29-15-30-50-52-36-41-21-7-8-22-42(41)37-55(52)58-56(49)50/h1-18,20-37,40H,19H2
InChIKeyHMSGOZSPRMUSQP-UHFFFAOYSA-N
XLogP15.96
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.93
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 174275617
N-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline
CID 174275030
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 174285036
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 174275436
N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 172503073
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 174275519
N-(3-dibenzofuran-4-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
CID 172501796
7-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-7-N,17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 164779502
4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069277
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502739
N-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine
CID 174272949
N-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 167086371

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-4-phenylaniline?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-4-phenylaniline (CID 174275550) is 2-cyclohexa-2,4-dien-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-4-phenylaniline.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-4-phenylaniline?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-4-phenylaniline is C1=CCC(c2cc(-c3ccccc3)ccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccccc2-c2cccc3c2oc2cc4ccccc4cc23)C=C1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-4-phenylaniline?
The InChIKey is HMSGOZSPRMUSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39NO/c1-3-16-38(17-4-1)43-32-33-54(51(35-43)40-18-5-2-6-19-40)57(45-25-13-24-44(34-45)47-28-14-23-39-20-9-10-26-46(39)47)53-31-12-11-27-48(53)49-29-15-30-50-52-36-41-21-7-8-22-42(41)37-55(52)58-56(49)50/h1-18,20-37,40H,19H2.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-4-phenylaniline?
2-cyclohexa-2,4-dien-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-4-phenylaniline has a molecular weight of 741.93 g/mol, XLogP of 15.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 174275550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).