N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)phenyl]dibenzothiophen-2-amine

C50H35NOS — CID 170135579

IUPACN-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)phenyl]dibenzothiophen-2-amine
SMILESC1=CC2=C(C=CCC2c2ccc(N(c3ccc(-c4ccc5c(ccc6oc7ccccc7c65)c4)cc3)c3ccc4sc5ccccc5c4c3)cc2)CC1
InChIInChI=1S/C50H35NOS/c1-2-10-40-33(8-1)9-7-13-41(40)34-18-24-38(25-19-34)51(39-26-29-49-45(31-39)43-11-4-6-15-48(43)53-49)37-22-16-32(17-23-37)35-20-27-42-36(30-35)21-28-47-50(42)44-12-3-5-14-46(44)52-47/h2-7,9-12,14-31,41H,1,8,13H2
InChIKeyPAMVJNQPNSWWOF-UHFFFAOYSA-N
MW697.90 g/mol
LogP14.93
Rot. Bonds5

About N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)phenyl]dibenzothiophen-2-amine

N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)phenyl]dibenzothiophen-2-amine (PubChem CID 170135579) has the molecular formula C50H35NOS and a molecular weight of 697.90 g/mol. Its IUPAC name is N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)phenyl]dibenzothiophen-2-amine
PubChem CID170135579
Molecular FormulaC50H35NOS
Molecular Weight697.90 g/mol
Exact Mass697.24
IUPAC NameN-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)phenyl]dibenzothiophen-2-amine
SMILESC1=CC2=C(C=CCC2c2ccc(N(c3ccc(-c4ccc5c(ccc6oc7ccccc7c65)c4)cc3)c3ccc4sc5ccccc5c4c3)cc2)CC1
InChIInChI=1S/C50H35NOS/c1-2-10-40-33(8-1)9-7-13-41(40)34-18-24-38(25-19-34)51(39-26-29-49-45(31-39)43-11-4-6-15-48(43)53-49)37-22-16-32(17-23-37)35-20-27-42-36(30-35)21-28-47-50(42)44-12-3-5-14-46(44)52-47/h2-7,9-12,14-31,41H,1,8,13H2
InChIKeyPAMVJNQPNSWWOF-UHFFFAOYSA-N
XLogP14.93
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.90
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine
CID 170032426
N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine
CID 170031847
4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline
CID 157275659
N-dibenzothiophen-3-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170032222
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine
CID 170031524
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
N-(4-chrysen-2-ylphenyl)-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 170137660
N-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine
CID 163463694
N-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 163686453
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 163950326
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)phenyl]dibenzothiophen-2-amine (CID 170135579) is N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)phenyl]dibenzothiophen-2-amine is C1=CC2=C(C=CCC2c2ccc(N(c3ccc(-c4ccc5c(ccc6oc7ccccc7c65)c4)cc3)c3ccc4sc5ccccc5c4c3)cc2)CC1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)phenyl]dibenzothiophen-2-amine?
The InChIKey is PAMVJNQPNSWWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NOS/c1-2-10-40-33(8-1)9-7-13-41(40)34-18-24-38(25-19-34)51(39-26-29-49-45(31-39)43-11-4-6-15-48(43)53-49)37-22-16-32(17-23-37)35-20-27-42-36(30-35)21-28-47-50(42)44-12-3-5-14-46(44)52-47/h2-7,9-12,14-31,41H,1,8,13H2.
What are the key properties of N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)phenyl]dibenzothiophen-2-amine?
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)phenyl]dibenzothiophen-2-amine has a molecular weight of 697.90 g/mol, XLogP of 14.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 170135579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).