3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine

C55H33N3O3 — CID 164813140

IUPAC3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine
SMILESc1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3cc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)cnc34)ccc2c1
InChIInChI=1S/C55H33N3O3/c1-3-11-36-27-38(19-17-34(36)9-1)57(40-21-24-46-44-13-5-7-15-49(44)59-51(46)29-40)41-23-26-48-53(31-41)61-54-32-43(33-56-55(48)54)58(39-20-18-35-10-2-4-12-37(35)28-39)42-22-25-47-45-14-6-8-16-50(45)60-52(47)30-42/h1-33H
InChIKeySFZUQFRWFRDXDP-UHFFFAOYSA-N
MW783.89 g/mol
LogP16.03
Rot. Bonds6

About 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine

3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine (PubChem CID 164813140) has the molecular formula C55H33N3O3 and a molecular weight of 783.89 g/mol. Its IUPAC name is 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine.

Molecular Properties

Compound Name3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine
PubChem CID164813140
Molecular FormulaC55H33N3O3
Molecular Weight783.89 g/mol
Exact Mass783.25
IUPAC Name3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine
SMILESc1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3cc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)cnc34)ccc2c1
InChIInChI=1S/C55H33N3O3/c1-3-11-36-27-38(19-17-34(36)9-1)57(40-21-24-46-44-13-5-7-15-49(44)59-51(46)29-40)41-23-26-48-53(31-41)61-54-32-43(33-56-55(48)54)58(39-20-18-35-10-2-4-12-37(35)28-39)42-22-25-47-45-14-6-8-16-50(45)60-52(47)30-42/h1-33H
InChIKeySFZUQFRWFRDXDP-UHFFFAOYSA-N
XLogP16.03
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.89
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-bis(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridine-3,7-diamine
CID 164813283
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-di(phenanthren-2-yl)-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine
CID 164812994
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-diphenyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine
CID 164813150
3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine
CID 164813257
N-dibenzofuran-3-yl-N-naphthalen-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779604
5-N,11-N-bis(1-benzothiophen-2-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine
CID 164813504
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769
N-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenyldibenzofuran-3-amine
CID 174256551
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine
CID 170130998
N-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine
CID 167087100
5-N,11-N-di(anthracen-2-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,6,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
CID 164813420

Frequently Asked Questions

What is the IUPAC name of 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine?
The IUPAC name of 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine (CID 164813140) is 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine.
What is the SMILES notation for 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine?
The canonical SMILES for 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine is c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3cc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)cnc34)ccc2c1.
What is the InChIKey of 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine?
The InChIKey is SFZUQFRWFRDXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O3/c1-3-11-36-27-38(19-17-34(36)9-1)57(40-21-24-46-44-13-5-7-15-49(44)59-51(46)29-40)41-23-26-48-53(31-41)61-54-32-43(33-56-55(48)54)58(39-20-18-35-10-2-4-12-37(35)28-39)42-22-25-47-45-14-6-8-16-50(45)60-52(47)30-42/h1-33H.
What are the key properties of 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine?
3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine has a molecular weight of 783.89 g/mol, XLogP of 16.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine is sourced from PubChem (CID 164813140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).