10-N-dibenzofuran-4-yl-14-N-(3-methyl-2-phenoxyphenyl)-10-N,14-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine

C59H42N2O2S — CID 144658837

IUPAC10-N-dibenzofuran-4-yl-14-N-(3-methyl-2-phenoxyphenyl)-10-N,14-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
SMILESCc1ccc(N(c2cccc(C)c2Oc2ccccc2)c2cc3ccccc3c3c2sc2c(N(c4ccc(C)cc4)c4cccc5c4oc4ccccc45)cc4ccccc4c23)cc1
InChIInChI=1S/C59H42N2O2S/c1-37-27-31-42(32-28-37)60(49-24-13-15-39(3)56(49)62-44-18-5-4-6-19-44)51-35-40-16-7-9-20-45(40)54-55-46-21-10-8-17-41(46)36-52(59(55)64-58(51)54)61(43-33-29-38(2)30-34-43)50-25-14-23-48-47-22-11-12-26-53(47)63-57(48)50/h4-36H,1-3H3
InChIKeyGASYZZYQVDEKGW-UHFFFAOYSA-N
MW843.06 g/mol
LogP17.92
Rot. Bonds8

About 10-N-dibenzofuran-4-yl-14-N-(3-methyl-2-phenoxyphenyl)-10-N,14-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine

10-N-dibenzofuran-4-yl-14-N-(3-methyl-2-phenoxyphenyl)-10-N,14-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine (PubChem CID 144658837) has the molecular formula C59H42N2O2S and a molecular weight of 843.06 g/mol. Its IUPAC name is 10-N-dibenzofuran-4-yl-14-N-(3-methyl-2-phenoxyphenyl)-10-N,14-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine.

Molecular Properties

Compound Name10-N-dibenzofuran-4-yl-14-N-(3-methyl-2-phenoxyphenyl)-10-N,14-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
PubChem CID144658837
Molecular FormulaC59H42N2O2S
Molecular Weight843.06 g/mol
Exact Mass842.30
IUPAC Name10-N-dibenzofuran-4-yl-14-N-(3-methyl-2-phenoxyphenyl)-10-N,14-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
SMILESCc1ccc(N(c2cccc(C)c2Oc2ccccc2)c2cc3ccccc3c3c2sc2c(N(c4ccc(C)cc4)c4cccc5c4oc4ccccc45)cc4ccccc4c23)cc1
InChIInChI=1S/C59H42N2O2S/c1-37-27-31-42(32-28-37)60(49-24-13-15-39(3)56(49)62-44-18-5-4-6-19-44)51-35-40-16-7-9-20-45(40)54-55-46-21-10-8-17-41(46)36-52(59(55)64-58(51)54)61(43-33-29-38(2)30-34-43)50-25-14-23-48-47-22-11-12-26-53(47)63-57(48)50/h4-36H,1-3H3
InChIKeyGASYZZYQVDEKGW-UHFFFAOYSA-N
XLogP17.92
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.06
LogP ≤ 517.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-N-dibenzofuran-4-yl-14-N-(3-methyl-2-phenoxyphenyl)-10-N,14-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-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

10-N,14-N-bis(9,9-dimethylfluoren-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-2-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine;10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
CID 158785901
N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-4-amine
CID 170040287
10-N-dibenzofuran-4-yl-14-N-[9-[6-(N-[14-(N-dibenzofuran-4-yl-2-phenylanilino)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl]-2-phenylanilino)dibenzofuran-2-yl]dibenzofuran-4-yl]-10-N,14-N-bis(3-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
CID 155083460
N-[14-([1]benzofuro[2,3-a]carbazol-12-yl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl]-N-(2-methylphenyl)dibenzofuran-4-amine
CID 166957438
6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
CID 144918751
N-[4-(4-methylphenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 177080725
N-(6-phenyldibenzothiophen-4-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167397269
10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
CID 90263438
N-(4-methylphenyl)-N-naphtho[2,1-b][1]benzothiol-9-yldibenzofuran-4-amine
CID 90263564
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
CID 159224268
9-N,20-N-bis(2-methylphenyl)-9-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-di(dibenzofuran-4-yl)-20-N-(4-methylphenyl)-9-N-(4-trimethylsilylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-di(phenanthren-9-yl)-9-N,20-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-diphenyl-9-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine
CID 161382791
N-(4-methylphenyl)-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
CID 166032751

Frequently Asked Questions

What is the IUPAC name of 10-N-dibenzofuran-4-yl-14-N-(3-methyl-2-phenoxyphenyl)-10-N,14-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
The IUPAC name of 10-N-dibenzofuran-4-yl-14-N-(3-methyl-2-phenoxyphenyl)-10-N,14-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine (CID 144658837) is 10-N-dibenzofuran-4-yl-14-N-(3-methyl-2-phenoxyphenyl)-10-N,14-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine.
What is the SMILES notation for 10-N-dibenzofuran-4-yl-14-N-(3-methyl-2-phenoxyphenyl)-10-N,14-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
The canonical SMILES for 10-N-dibenzofuran-4-yl-14-N-(3-methyl-2-phenoxyphenyl)-10-N,14-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine is Cc1ccc(N(c2cccc(C)c2Oc2ccccc2)c2cc3ccccc3c3c2sc2c(N(c4ccc(C)cc4)c4cccc5c4oc4ccccc45)cc4ccccc4c23)cc1.
What is the InChIKey of 10-N-dibenzofuran-4-yl-14-N-(3-methyl-2-phenoxyphenyl)-10-N,14-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
The InChIKey is GASYZZYQVDEKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2O2S/c1-37-27-31-42(32-28-37)60(49-24-13-15-39(3)56(49)62-44-18-5-4-6-19-44)51-35-40-16-7-9-20-45(40)54-55-46-21-10-8-17-41(46)36-52(59(55)64-58(51)54)61(43-33-29-38(2)30-34-43)50-25-14-23-48-47-22-11-12-26-53(47)63-57(48)50/h4-36H,1-3H3.
What are the key properties of 10-N-dibenzofuran-4-yl-14-N-(3-methyl-2-phenoxyphenyl)-10-N,14-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine?
10-N-dibenzofuran-4-yl-14-N-(3-methyl-2-phenoxyphenyl)-10-N,14-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine has a molecular weight of 843.06 g/mol, XLogP of 17.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N-dibenzofuran-4-yl-14-N-(3-methyl-2-phenoxyphenyl)-10-N,14-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine is sourced from PubChem (CID 144658837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).