7-N-dibenzofuran-2-yl-8-N-dibenzothiophen-4-yl-7-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-7,8-diamine

C52H32N2O2S — CID 169293392

IUPAC7-N-dibenzofuran-2-yl-8-N-dibenzothiophen-4-yl-7-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-7,8-diamine
SMILESc1ccc(N(c2ccc3oc4c5ccccc5ccc4c3c2N(c2ccccc2)c2ccc3oc4ccccc4c3c2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C52H32N2O2S/c1-3-15-34(16-4-1)53(36-27-30-46-42(32-36)38-20-9-11-24-45(38)55-46)50-43(29-31-47-49(50)41-28-26-33-14-7-8-19-37(33)51(41)56-47)54(35-17-5-2-6-18-35)44-23-13-22-40-39-21-10-12-25-48(39)57-52(40)44/h1-32H
InChIKeyDVKSUEVSKYCEED-UHFFFAOYSA-N
MW748.91 g/mol
LogP15.95
Rot. Bonds6

About 7-N-dibenzofuran-2-yl-8-N-dibenzothiophen-4-yl-7-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-7,8-diamine

7-N-dibenzofuran-2-yl-8-N-dibenzothiophen-4-yl-7-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-7,8-diamine (PubChem CID 169293392) has the molecular formula C52H32N2O2S and a molecular weight of 748.91 g/mol. Its IUPAC name is 7-N-dibenzofuran-2-yl-8-N-dibenzothiophen-4-yl-7-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-7,8-diamine.

Molecular Properties

Compound Name7-N-dibenzofuran-2-yl-8-N-dibenzothiophen-4-yl-7-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-7,8-diamine
PubChem CID169293392
Molecular FormulaC52H32N2O2S
Molecular Weight748.91 g/mol
Exact Mass748.22
IUPAC Name7-N-dibenzofuran-2-yl-8-N-dibenzothiophen-4-yl-7-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-7,8-diamine
SMILESc1ccc(N(c2ccc3oc4c5ccccc5ccc4c3c2N(c2ccccc2)c2ccc3oc4ccccc4c3c2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C52H32N2O2S/c1-3-15-34(16-4-1)53(36-27-30-46-42(32-36)38-20-9-11-24-45(38)55-46)50-43(29-31-47-49(50)41-28-26-33-14-7-8-19-37(33)51(41)56-47)54(35-17-5-2-6-18-35)44-23-13-22-40-39-21-10-12-25-48(39)57-52(40)44/h1-32H
InChIKeyDVKSUEVSKYCEED-UHFFFAOYSA-N
XLogP15.95
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.91
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-benzo[c]phenanthren-2-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-2-amine
CID 167182355
N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170239260
N-dibenzothiophen-4-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170239480
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167331011
N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-amine
CID 146494386
7-N-dibenzofuran-4-yl-7-N,19-N,19-N-tri(dibenzothiophen-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 164799654
7-N-naphtho[1,2-b][1]benzothiol-4-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 170410120
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 170031914
N-dibenzothiophen-4-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738816
N-dibenzothiophen-4-yl-8-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675043
N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
CID 176820668
N-dibenzothiophen-4-yl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-4-yl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine
CID 160979130

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzofuran-2-yl-8-N-dibenzothiophen-4-yl-7-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-7,8-diamine?
The IUPAC name of 7-N-dibenzofuran-2-yl-8-N-dibenzothiophen-4-yl-7-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-7,8-diamine (CID 169293392) is 7-N-dibenzofuran-2-yl-8-N-dibenzothiophen-4-yl-7-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-7,8-diamine.
What is the SMILES notation for 7-N-dibenzofuran-2-yl-8-N-dibenzothiophen-4-yl-7-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-7,8-diamine?
The canonical SMILES for 7-N-dibenzofuran-2-yl-8-N-dibenzothiophen-4-yl-7-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-7,8-diamine is c1ccc(N(c2ccc3oc4c5ccccc5ccc4c3c2N(c2ccccc2)c2ccc3oc4ccccc4c3c2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of 7-N-dibenzofuran-2-yl-8-N-dibenzothiophen-4-yl-7-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-7,8-diamine?
The InChIKey is DVKSUEVSKYCEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O2S/c1-3-15-34(16-4-1)53(36-27-30-46-42(32-36)38-20-9-11-24-45(38)55-46)50-43(29-31-47-49(50)41-28-26-33-14-7-8-19-37(33)51(41)56-47)54(35-17-5-2-6-18-35)44-23-13-22-40-39-21-10-12-25-48(39)57-52(40)44/h1-32H.
What are the key properties of 7-N-dibenzofuran-2-yl-8-N-dibenzothiophen-4-yl-7-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-7,8-diamine?
7-N-dibenzofuran-2-yl-8-N-dibenzothiophen-4-yl-7-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-7,8-diamine has a molecular weight of 748.91 g/mol, XLogP of 15.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzofuran-2-yl-8-N-dibenzothiophen-4-yl-7-N,8-N-diphenylnaphtho[1,2-b][1]benzofuran-7,8-diamine is sourced from PubChem (CID 169293392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).