N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine

C40H27NO2 — CID 174280336

IUPACN-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine
SMILESC1=CC2Oc3c(cccc3N(c3ccccc3)c3ccccc3-c3ccc4oc5c6ccccc6ccc5c4c3)C2C=C1
InChIInChI=1S/C40H27NO2/c1-2-12-28(13-3-1)41(36-19-10-17-32-31-16-7-9-20-37(31)43-40(32)36)35-18-8-6-14-29(35)27-22-24-38-34(25-27)33-23-21-26-11-4-5-15-30(26)39(33)42-38/h1-25,31,37H
InChIKeyWOGYGMPXRBHXCS-UHFFFAOYSA-N
MW553.66 g/mol
LogP10.85
Rot. Bonds4

About N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine

N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine (PubChem CID 174280336) has the molecular formula C40H27NO2 and a molecular weight of 553.66 g/mol. Its IUPAC name is N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine.

Molecular Properties

Compound NameN-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine
PubChem CID174280336
Molecular FormulaC40H27NO2
Molecular Weight553.66 g/mol
Exact Mass553.20
IUPAC NameN-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine
SMILESC1=CC2Oc3c(cccc3N(c3ccccc3)c3ccccc3-c3ccc4oc5c6ccccc6ccc5c4c3)C2C=C1
InChIInChI=1S/C40H27NO2/c1-2-12-28(13-3-1)41(36-19-10-17-32-31-16-7-9-20-37(31)43-40(32)36)35-18-8-6-14-29(35)27-22-24-38-34(25-27)33-23-21-26-11-4-5-15-30(26)39(33)42-38/h1-25,31,37H
InChIKeyWOGYGMPXRBHXCS-UHFFFAOYSA-N
XLogP10.85
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.66
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 174273092
N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 174272765
N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-phenyl-N-[4-[3-[8-[2-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]naphtho[1,2-b][1]benzofuran-6-yl]phenyl]phenyl]aniline
CID 174272756
2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine
CID 89260903
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-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738787
N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzofuran-2-amine
CID 174280847
N-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline
CID 174280518
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174281108
5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol
CID 122473560
N-[4-(3,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174272400
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 174273290

Frequently Asked Questions

What is the IUPAC name of N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine?
The IUPAC name of N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine (CID 174280336) is N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine.
What is the SMILES notation for N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine?
The canonical SMILES for N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine is C1=CC2Oc3c(cccc3N(c3ccccc3)c3ccccc3-c3ccc4oc5c6ccccc6ccc5c4c3)C2C=C1.
What is the InChIKey of N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine?
The InChIKey is WOGYGMPXRBHXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO2/c1-2-12-28(13-3-1)41(36-19-10-17-32-31-16-7-9-20-37(31)43-40(32)36)35-18-8-6-14-29(35)27-22-24-38-34(25-27)33-23-21-26-11-4-5-15-30(26)39(33)42-38/h1-25,31,37H.
What are the key properties of N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine?
N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine has a molecular weight of 553.66 g/mol, XLogP of 10.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine is sourced from PubChem (CID 174280336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).