7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine

C70H42N2O4 — CID 148684754

IUPAC7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine
SMILESc1ccc(-c2c3cc4c(oc5cc(N(c6ccccc6)c6ccc7c(c6)oc6ccccc67)ccc54)c(-c4ccccc4)c3cc3c2oc2cc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)ccc23)cc1
InChIInChI=1S/C70H42N2O4/c1-5-17-43(18-6-1)67-57-41-60-56-36-32-50(72(46-23-11-4-12-24-46)48-30-34-54-52-26-14-16-28-62(52)74-64(54)38-48)40-66(56)76-70(60)68(44-19-7-2-8-20-44)58(57)42-59-55-35-31-49(39-65(55)75-69(59)67)71(45-21-9-3-10-22-45)47-29-33-53-51-25-13-15-27-61(51)73-63(53)37-47/h1-42H
InChIKeyNSHTZMGDZUWCFG-UHFFFAOYSA-N
MW975.12 g/mol
LogP20.71
Rot. Bonds8

About 7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine

7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine (PubChem CID 148684754) has the molecular formula C70H42N2O4 and a molecular weight of 975.12 g/mol. Its IUPAC name is 7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine.

Molecular Properties

Compound Name7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine
PubChem CID148684754
Molecular FormulaC70H42N2O4
Molecular Weight975.12 g/mol
Exact Mass974.31
IUPAC Name7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine
SMILESc1ccc(-c2c3cc4c(oc5cc(N(c6ccccc6)c6ccc7c(c6)oc6ccccc67)ccc54)c(-c4ccccc4)c3cc3c2oc2cc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)ccc23)cc1
InChIInChI=1S/C70H42N2O4/c1-5-17-43(18-6-1)67-57-41-60-56-36-32-50(72(46-23-11-4-12-24-46)48-30-34-54-52-26-14-16-28-62(52)74-64(54)38-48)40-66(56)76-70(60)68(44-19-7-2-8-20-44)58(57)42-59-55-35-31-49(39-65(55)75-69(59)67)71(45-21-9-3-10-22-45)47-29-33-53-51-25-13-15-27-61(51)73-63(53)37-47/h1-42H
InChIKeyNSHTZMGDZUWCFG-UHFFFAOYSA-N
XLogP20.71
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.12
LogP ≤ 520.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611362
N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808582
N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline
CID 169295813
N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline
CID 169295916
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587

Frequently Asked Questions

What is the IUPAC name of 7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine?
The IUPAC name of 7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine (CID 148684754) is 7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine.
What is the SMILES notation for 7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine?
The canonical SMILES for 7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine is c1ccc(-c2c3cc4c(oc5cc(N(c6ccccc6)c6ccc7c(c6)oc6ccccc67)ccc54)c(-c4ccccc4)c3cc3c2oc2cc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)ccc23)cc1.
What is the InChIKey of 7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine?
The InChIKey is NSHTZMGDZUWCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N2O4/c1-5-17-43(18-6-1)67-57-41-60-56-36-32-50(72(46-23-11-4-12-24-46)48-30-34-54-52-26-14-16-28-62(52)74-64(54)38-48)40-66(56)76-70(60)68(44-19-7-2-8-20-44)58(57)42-59-55-35-31-49(39-65(55)75-69(59)67)71(45-21-9-3-10-22-45)47-29-33-53-51-25-13-15-27-61(51)73-63(53)37-47/h1-42H.
What are the key properties of 7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine?
7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine has a molecular weight of 975.12 g/mol, XLogP of 20.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine is sourced from PubChem (CID 148684754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).