N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yl-7-phenylnaphtho[1,2-b][1]benzofuran-10-amine

C50H29NO2S — CID 168804100

IUPACN-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yl-7-phenylnaphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccc4sc5ccc6ccccc6c5c4c3)c3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C50H29NO2S/c1-2-10-30(11-3-1)36-23-24-42(50-48(36)39-22-18-32-13-5-7-15-37(32)49(39)53-50)51(33-20-25-44-40(28-33)38-16-8-9-17-43(38)52-44)34-21-27-45-41(29-34)47-35-14-6-4-12-31(35)19-26-46(47)54-45/h1-29H
InChIKeyIMDAOQOTIJRCJO-UHFFFAOYSA-N
MW707.85 g/mol
LogP15.30
Rot. Bonds4

About N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yl-7-phenylnaphtho[1,2-b][1]benzofuran-10-amine

N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yl-7-phenylnaphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 168804100) has the molecular formula C50H29NO2S and a molecular weight of 707.85 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yl-7-phenylnaphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yl-7-phenylnaphtho[1,2-b][1]benzofuran-10-amine
PubChem CID168804100
Molecular FormulaC50H29NO2S
Molecular Weight707.85 g/mol
Exact Mass707.19
IUPAC NameN-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yl-7-phenylnaphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccc4sc5ccc6ccccc6c5c4c3)c3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C50H29NO2S/c1-2-10-30(11-3-1)36-23-24-42(50-48(36)39-22-18-32-13-5-7-15-37(32)49(39)53-50)51(33-20-25-44-40(28-33)38-16-8-9-17-43(38)52-44)34-21-27-45-41(29-34)47-35-14-6-4-12-31(35)19-26-46(47)54-45/h1-29H
InChIKeyIMDAOQOTIJRCJO-UHFFFAOYSA-N
XLogP15.30
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.85
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-diphenylphenyl)-N-naphtho[2,1-b][1]benzothiol-9-yldibenzofuran-2-amine
CID 170041268
N-(3,4-diphenylphenyl)-N-naphtho[2,1-b][1]benzothiol-4-yldibenzofuran-2-amine
CID 170040658
N-(9-phenanthren-2-yldibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 172508758
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yldibenzofuran-2-amine
CID 170039344
N-(4-naphthalen-1-ylphenyl)-1-(20-oxa-9-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)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-8-(20-oxa-9-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)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 165076056
N-[4-(20-oxa-9-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]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 165040443
N,N-di(dibenzofuran-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804115
N-dibenzothiophen-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739402
N-phenanthren-1-yl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]dibenzofuran-2-amine
CID 176820979
N-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 171435354
N-naphtho[2,1-b][1]benzothiol-10-yl-9-phenanthren-2-yl-N-phenyldibenzofuran-2-amine
CID 172508793
N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804139

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yl-7-phenylnaphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yl-7-phenylnaphtho[1,2-b][1]benzofuran-10-amine (CID 168804100) is N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yl-7-phenylnaphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yl-7-phenylnaphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yl-7-phenylnaphtho[1,2-b][1]benzofuran-10-amine is c1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccc4sc5ccc6ccccc6c5c4c3)c3oc4c5ccccc5ccc4c23)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yl-7-phenylnaphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is IMDAOQOTIJRCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29NO2S/c1-2-10-30(11-3-1)36-23-24-42(50-48(36)39-22-18-32-13-5-7-15-37(32)49(39)53-50)51(33-20-25-44-40(28-33)38-16-8-9-17-43(38)52-44)34-21-27-45-41(29-34)47-35-14-6-4-12-31(35)19-26-46(47)54-45/h1-29H.
What are the key properties of N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yl-7-phenylnaphtho[1,2-b][1]benzofuran-10-amine?
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yl-7-phenylnaphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 707.85 g/mol, XLogP of 15.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yl-7-phenylnaphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 168804100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).