2-cyclopentyl-6-[3-(N-[9-(N-(6-cyclopentyldibenzofuran-4-yl)-4-methylanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-methylanilino)phenyl]phenol

C64H54N2O3 — CID 144658499

IUPAC2-cyclopentyl-6-[3-(N-[9-(N-(6-cyclopentyldibenzofuran-4-yl)-4-methylanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-methylanilino)phenyl]phenol
SMILESCc1ccc(N(c2cccc(-c3cccc(C4CCCC4)c3O)c2)c2cc3oc4cc(N(c5ccc(C)cc5)c5cccc6c5oc5c(C7CCCC7)cccc56)ccc4c3c3ccccc23)cc1
InChIInChI=1S/C64H54N2O3/c1-40-27-31-45(32-28-40)65(57-26-12-25-55-54-24-11-23-51(43-15-5-6-16-43)63(54)69-64(55)57)48-35-36-56-59(38-48)68-60-39-58(52-19-7-8-20-53(52)61(56)60)66(46-33-29-41(2)30-34-46)47-18-9-17-44(37-47)50-22-10-21-49(62(50)67)42-13-3-4-14-42/h7-12,17-39,42-43,67H,3-6,13-16H2,1-2H3
InChIKeyADZTWAYZYGVPTC-UHFFFAOYSA-N
MW899.15 g/mol
LogP18.88
Rot. Bonds9

About 2-cyclopentyl-6-[3-(N-[9-(N-(6-cyclopentyldibenzofuran-4-yl)-4-methylanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-methylanilino)phenyl]phenol

2-cyclopentyl-6-[3-(N-[9-(N-(6-cyclopentyldibenzofuran-4-yl)-4-methylanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-methylanilino)phenyl]phenol (PubChem CID 144658499) has the molecular formula C64H54N2O3 and a molecular weight of 899.15 g/mol. Its IUPAC name is 2-cyclopentyl-6-[3-(N-[9-(N-(6-cyclopentyldibenzofuran-4-yl)-4-methylanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-methylanilino)phenyl]phenol.

Molecular Properties

Compound Name2-cyclopentyl-6-[3-(N-[9-(N-(6-cyclopentyldibenzofuran-4-yl)-4-methylanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-methylanilino)phenyl]phenol
PubChem CID144658499
Molecular FormulaC64H54N2O3
Molecular Weight899.15 g/mol
Exact Mass898.41
IUPAC Name2-cyclopentyl-6-[3-(N-[9-(N-(6-cyclopentyldibenzofuran-4-yl)-4-methylanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-methylanilino)phenyl]phenol
SMILESCc1ccc(N(c2cccc(-c3cccc(C4CCCC4)c3O)c2)c2cc3oc4cc(N(c5ccc(C)cc5)c5cccc6c5oc5c(C7CCCC7)cccc56)ccc4c3c3ccccc23)cc1
InChIInChI=1S/C64H54N2O3/c1-40-27-31-45(32-28-40)65(57-26-12-25-55-54-24-11-23-51(43-15-5-6-16-43)63(54)69-64(55)57)48-35-36-56-59(38-48)68-60-39-58(52-19-7-8-20-53(52)61(56)60)66(46-33-29-41(2)30-34-46)47-18-9-17-44(37-47)50-22-10-21-49(62(50)67)42-13-3-4-14-42/h7-12,17-39,42-43,67H,3-6,13-16H2,1-2H3
InChIKeyADZTWAYZYGVPTC-UHFFFAOYSA-N
XLogP18.88
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.15
LogP ≤ 518.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentyl-6-[3-(N-[9-(N-(6-cyclopentyldibenzofuran-4-yl)-4-methylanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-methylanilino)phenyl]phenol with MolForge

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Related Compounds

5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N-(3-phenylphenyl)-9-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 90262741
5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,9-N-bis(4-fluorophenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 90262742
2-[3-(4-fluoro-N-[9-(4-fluoro-N-(6-phenyldibenzofuran-4-yl)anilino)naphtho[2,1-b][1]benzofuran-5-yl]anilino)phenyl]-6-phenylphenol
CID 144658816
5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 160511447
9-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-9-N,20-N-diphenyl-12-oxapentacyclo[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 90263048
5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 130387466
4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 159568171
9-N,15-N-bis(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(4-fluorophenyl)-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-9,15-diamine
CID 90263304
8-[4-cyclopentyl-6-(N-[20-(N-(6-cyclopentyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]-3-phenylanilino)dibenzofuran-1-yl]-4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine
CID 167090878
6-N,18-N-bis(6-cyclopentyldibenzofuran-4-yl)-6-N,18-N-diphenyl-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-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,18-N-diphenyl-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 157323255
4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 160963441
6-N,18-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine;6-N,18-N-bis(6-cyclopentyldibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine;6-N,18-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine
CID 157354133

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-[3-(N-[9-(N-(6-cyclopentyldibenzofuran-4-yl)-4-methylanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-methylanilino)phenyl]phenol?
The IUPAC name of 2-cyclopentyl-6-[3-(N-[9-(N-(6-cyclopentyldibenzofuran-4-yl)-4-methylanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-methylanilino)phenyl]phenol (CID 144658499) is 2-cyclopentyl-6-[3-(N-[9-(N-(6-cyclopentyldibenzofuran-4-yl)-4-methylanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-methylanilino)phenyl]phenol.
What is the SMILES notation for 2-cyclopentyl-6-[3-(N-[9-(N-(6-cyclopentyldibenzofuran-4-yl)-4-methylanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-methylanilino)phenyl]phenol?
The canonical SMILES for 2-cyclopentyl-6-[3-(N-[9-(N-(6-cyclopentyldibenzofuran-4-yl)-4-methylanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-methylanilino)phenyl]phenol is Cc1ccc(N(c2cccc(-c3cccc(C4CCCC4)c3O)c2)c2cc3oc4cc(N(c5ccc(C)cc5)c5cccc6c5oc5c(C7CCCC7)cccc56)ccc4c3c3ccccc23)cc1.
What is the InChIKey of 2-cyclopentyl-6-[3-(N-[9-(N-(6-cyclopentyldibenzofuran-4-yl)-4-methylanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-methylanilino)phenyl]phenol?
The InChIKey is ADZTWAYZYGVPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H54N2O3/c1-40-27-31-45(32-28-40)65(57-26-12-25-55-54-24-11-23-51(43-15-5-6-16-43)63(54)69-64(55)57)48-35-36-56-59(38-48)68-60-39-58(52-19-7-8-20-53(52)61(56)60)66(46-33-29-41(2)30-34-46)47-18-9-17-44(37-47)50-22-10-21-49(62(50)67)42-13-3-4-14-42/h7-12,17-39,42-43,67H,3-6,13-16H2,1-2H3.
What are the key properties of 2-cyclopentyl-6-[3-(N-[9-(N-(6-cyclopentyldibenzofuran-4-yl)-4-methylanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-methylanilino)phenyl]phenol?
2-cyclopentyl-6-[3-(N-[9-(N-(6-cyclopentyldibenzofuran-4-yl)-4-methylanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-methylanilino)phenyl]phenol has a molecular weight of 899.15 g/mol, XLogP of 18.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-[3-(N-[9-(N-(6-cyclopentyldibenzofuran-4-yl)-4-methylanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-methylanilino)phenyl]phenol is sourced from PubChem (CID 144658499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).