N-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine

C44H27NO2 — CID 176616726

IUPACN-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(N(c2ccc(-c3ccc4cc5c(cc4c3)oc3ccccc35)cc2)c2ccc3c(c2)oc2c4ccccc4ccc32)cc1
InChIInChI=1S/C44H27NO2/c1-2-9-33(10-3-1)45(35-21-23-38-39-22-18-29-8-4-5-11-36(29)44(39)47-43(38)27-35)34-19-16-28(17-20-34)30-14-15-31-25-40-37-12-6-7-13-41(37)46-42(40)26-32(31)24-30/h1-27H
InChIKeyLNWSPGWNEVRSQB-UHFFFAOYSA-N
MW601.71 g/mol
LogP12.93
Rot. Bonds4

About N-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine

N-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 176616726) has the molecular formula C44H27NO2 and a molecular weight of 601.71 g/mol. Its IUPAC name is N-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
PubChem CID176616726
Molecular FormulaC44H27NO2
Molecular Weight601.71 g/mol
Exact Mass601.20
IUPAC NameN-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(N(c2ccc(-c3ccc4cc5c(cc4c3)oc3ccccc35)cc2)c2ccc3c(c2)oc2c4ccccc4ccc32)cc1
InChIInChI=1S/C44H27NO2/c1-2-9-33(10-3-1)45(35-21-23-38-39-22-18-29-8-4-5-11-36(29)44(39)47-43(38)27-35)34-19-16-28(17-20-34)30-14-15-31-25-40-37-12-6-7-13-41(37)46-42(40)26-32(31)24-30/h1-27H
InChIKeyLNWSPGWNEVRSQB-UHFFFAOYSA-N
XLogP12.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 176616609
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616741
7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 177116861
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 166974853
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167086989
N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 170137651
N,N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaen-9-amine
CID 155361287
N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 167086293
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine (CID 176616726) is N-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine is c1ccc(N(c2ccc(-c3ccc4cc5c(cc4c3)oc3ccccc35)cc2)c2ccc3c(c2)oc2c4ccccc4ccc32)cc1.
What is the InChIKey of N-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is LNWSPGWNEVRSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO2/c1-2-9-33(10-3-1)45(35-21-23-38-39-22-18-29-8-4-5-11-36(29)44(39)47-43(38)27-35)34-19-16-28(17-20-34)30-14-15-31-25-40-37-12-6-7-13-41(37)46-42(40)26-32(31)24-30/h1-27H.
What are the key properties of N-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
N-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 601.71 g/mol, XLogP of 12.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 176616726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).