7-N-(1-chlorodibenzofuran-3-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine

C48H29ClN2O3 — CID 146551038

IUPAC7-N-(1-chlorodibenzofuran-3-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine
SMILESClc1cc(N(c2ccccc2)c2ccc3c(c2)oc2ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc23)cc2oc3ccccc3c12
InChIInChI=1S/C48H29ClN2O3/c49-40-27-34(29-46-47(40)38-17-8-10-21-43(38)53-46)50(30-12-3-1-4-13-30)33-22-24-36-39-26-32(23-25-44(39)52-45(36)28-33)51(31-14-5-2-6-15-31)41-19-11-18-37-35-16-7-9-20-42(35)54-48(37)41/h1-29H
InChIKeyPAMPORCFXYEATM-UHFFFAOYSA-N
MW717.22 g/mol
LogP14.98
Rot. Bonds6

About 7-N-(1-chlorodibenzofuran-3-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine

7-N-(1-chlorodibenzofuran-3-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine (PubChem CID 146551038) has the molecular formula C48H29ClN2O3 and a molecular weight of 717.22 g/mol. Its IUPAC name is 7-N-(1-chlorodibenzofuran-3-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine.

Molecular Properties

Compound Name7-N-(1-chlorodibenzofuran-3-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine
PubChem CID146551038
Molecular FormulaC48H29ClN2O3
Molecular Weight717.22 g/mol
Exact Mass716.19
IUPAC Name7-N-(1-chlorodibenzofuran-3-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine
SMILESClc1cc(N(c2ccccc2)c2ccc3c(c2)oc2ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc23)cc2oc3ccccc3c12
InChIInChI=1S/C48H29ClN2O3/c49-40-27-34(29-46-47(40)38-17-8-10-21-43(38)53-46)50(30-12-3-1-4-13-30)33-22-24-36-39-26-32(23-25-44(39)52-45(36)28-33)51(31-14-5-2-6-15-31)41-19-11-18-37-35-16-7-9-20-42(35)54-48(37)41/h1-29H
InChIKeyPAMPORCFXYEATM-UHFFFAOYSA-N
XLogP14.98
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.22
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
CID 162475564
N-phenyl-N-[4-(1,2,2-triphenylethenyl)phenyl]dibenzofuran-1-amine;N-phenyl-N-[4-(1,2,2-triphenylethenyl)phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-(1,2,2-triphenylethenyl)phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-(1,2,2-triphenylethenyl)phenyl]dibenzofuran-4-amine
CID 161342584
N-dibenzofuran-4-yl-N-phenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-amine
CID 162475643
N-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine
CID 166845761
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
CID 146573998
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 139393694
9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine
CID 155172997
N-[4-[4-[dibenzofuran-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-2-amine;1-N,3-N-di(dibenzofuran-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzofuran-3-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-di(dibenzofuran-4-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 157328042
N-[4-[4-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 157350429

Frequently Asked Questions

What is the IUPAC name of 7-N-(1-chlorodibenzofuran-3-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine?
The IUPAC name of 7-N-(1-chlorodibenzofuran-3-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine (CID 146551038) is 7-N-(1-chlorodibenzofuran-3-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine.
What is the SMILES notation for 7-N-(1-chlorodibenzofuran-3-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine?
The canonical SMILES for 7-N-(1-chlorodibenzofuran-3-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine is Clc1cc(N(c2ccccc2)c2ccc3c(c2)oc2ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc23)cc2oc3ccccc3c12.
What is the InChIKey of 7-N-(1-chlorodibenzofuran-3-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine?
The InChIKey is PAMPORCFXYEATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29ClN2O3/c49-40-27-34(29-46-47(40)38-17-8-10-21-43(38)53-46)50(30-12-3-1-4-13-30)33-22-24-36-39-26-32(23-25-44(39)52-45(36)28-33)51(31-14-5-2-6-15-31)41-19-11-18-37-35-16-7-9-20-42(35)54-48(37)41/h1-29H.
What are the key properties of 7-N-(1-chlorodibenzofuran-3-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine?
7-N-(1-chlorodibenzofuran-3-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine has a molecular weight of 717.22 g/mol, XLogP of 14.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(1-chlorodibenzofuran-3-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine is sourced from PubChem (CID 146551038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).