18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine

C61H52N2O — CID 171404372

IUPAC18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2C24c5c(cccc5N(c5ccc6c(c5)oc5ccccc56)c5ccccc5-c5ccc(C6CCCCC6)cc5)CC2CCC4C3)cc1
InChIInChI=1S/C61H52N2O/c1-4-16-41(17-5-1)42-30-32-43(33-31-42)51-24-10-12-26-54(51)63(50-36-37-53-52-25-11-13-29-57(52)64-58(53)40-50)56-28-15-19-45-39-47-35-34-46-38-44-18-14-27-55(59(44)61(46,47)60(45)56)62(48-20-6-2-7-21-48)49-22-8-3-9-23-49/h2-3,6-15,18-33,36-37,40-41,46-47H,1,4-5,16-17,34-35,38-39H2
InChIKeyVEPQNJXFSPDITE-UHFFFAOYSA-N
MW829.10 g/mol
LogP16.66
Rot. Bonds8

About 18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine

18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine (PubChem CID 171404372) has the molecular formula C61H52N2O and a molecular weight of 829.10 g/mol. Its IUPAC name is 18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine.

Molecular Properties

Compound Name18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
PubChem CID171404372
Molecular FormulaC61H52N2O
Molecular Weight829.10 g/mol
Exact Mass828.41
IUPAC Name18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2C24c5c(cccc5N(c5ccc6c(c5)oc5ccccc56)c5ccccc5-c5ccc(C6CCCCC6)cc5)CC2CCC4C3)cc1
InChIInChI=1S/C61H52N2O/c1-4-16-41(17-5-1)42-30-32-43(33-31-42)51-24-10-12-26-54(51)63(50-36-37-53-52-25-11-13-29-57(52)64-58(53)40-50)56-28-15-19-45-39-47-35-34-46-38-44-18-14-27-55(59(44)61(46,47)60(45)56)62(48-20-6-2-7-21-48)49-22-8-3-9-23-49/h2-3,6-15,18-33,36-37,40-41,46-47H,1,4-5,16-17,34-35,38-39H2
InChIKeyVEPQNJXFSPDITE-UHFFFAOYSA-N
XLogP16.66
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.10
LogP ≤ 516.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-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

18-N-[2-(4-cyclohexylphenyl)phenyl]-3-N,18-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404182
3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404250
18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404359
18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine
CID 171403910
21-N-(9,9-dimethylfluoren-2-yl)-3-N,21-N-diphenyl-3-N-[4-(2-phenylphenyl)phenyl]pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2(7),3,5,17(22),18,20-hexaene-3,21-diamine
CID 171404226
N-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 168771617
18-N-(2-cyclohexylphenyl)-18-N-(9H-fluoren-2-yl)-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404241
9-N,15-N-bis(4-cyclohexylphenyl)-9-N,15-N-di(dibenzofuran-3-yl)-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90140162
N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 164774604
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine
CID 170302816
N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 176759731
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269

Frequently Asked Questions

What is the IUPAC name of 18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The IUPAC name of 18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine (CID 171404372) is 18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine.
What is the SMILES notation for 18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The canonical SMILES for 18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine is c1ccc(N(c2ccccc2)c2cccc3c2C24c5c(cccc5N(c5ccc6c(c5)oc5ccccc56)c5ccccc5-c5ccc(C6CCCCC6)cc5)CC2CCC4C3)cc1.
What is the InChIKey of 18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The InChIKey is VEPQNJXFSPDITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H52N2O/c1-4-16-41(17-5-1)42-30-32-43(33-31-42)51-24-10-12-26-54(51)63(50-36-37-53-52-25-11-13-29-57(52)64-58(53)40-50)56-28-15-19-45-39-47-35-34-46-38-44-18-14-27-55(59(44)61(46,47)60(45)56)62(48-20-6-2-7-21-48)49-22-8-3-9-23-49/h2-3,6-15,18-33,36-37,40-41,46-47H,1,4-5,16-17,34-35,38-39H2.
What are the key properties of 18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine has a molecular weight of 829.10 g/mol, XLogP of 16.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine is sourced from PubChem (CID 171404372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).