N-(6-cyclopentyldibenzofuran-4-yl)-N-[[(9Z)-6-(N-(6-cyclopentyldibenzofuran-4-yl)-4-propan-2-ylanilino)-9-ethylidenephenalen-1-yl]methyl]-5-propan-2-yl-1λ3-iodacyclohexa-1,5-dien-2-amine

C67H65IN2O2 — CID 144919225

IUPACN-(6-cyclopentyldibenzofuran-4-yl)-N-[[(9Z)-6-(N-(6-cyclopentyldibenzofuran-4-yl)-4-propan-2-ylanilino)-9-ethylidenephenalen-1-yl]methyl]-5-propan-2-yl-1λ3-iodacyclohexa-1,5-dien-2-amine
SMILESC/C=c1/ccc2c(N(c3ccc(C(C)C)cc3)c3cccc4c3oc3c(C5CCCC5)cccc34)ccc3ccc(CN(C4=IC=C(C(C)C)CC4)c4cccc5c4oc4c(C6CCCC6)cccc45)c1c32
InChIInChI=1S/C67H65IN2O2/c1-6-43-31-36-57-58(70(50-34-29-44(30-35-50)41(2)3)60-26-14-24-56-54-22-12-20-52(46-17-9-10-18-46)65(54)72-67(56)60)37-32-47-27-28-49(62(43)63(47)57)40-69(61-38-33-48(39-68-61)42(4)5)59-25-13-23-55-53-21-11-19-51(45-15-7-8-16-45)64(53)71-66(55)59/h6,11-14,19-32,34-37,39,41-42,45-46H,7-10,15-18,33,38,40H2,1-5H3/b43-6-
InChIKeyOICRYSHPVUCBOB-PWPCVSDASA-N
MW1057.17 g/mol
LogP19.66
Rot. Bonds11

About N-(6-cyclopentyldibenzofuran-4-yl)-N-[[(9Z)-6-(N-(6-cyclopentyldibenzofuran-4-yl)-4-propan-2-ylanilino)-9-ethylidenephenalen-1-yl]methyl]-5-propan-2-yl-1λ3-iodacyclohexa-1,5-dien-2-amine

N-(6-cyclopentyldibenzofuran-4-yl)-N-[[(9Z)-6-(N-(6-cyclopentyldibenzofuran-4-yl)-4-propan-2-ylanilino)-9-ethylidenephenalen-1-yl]methyl]-5-propan-2-yl-1λ3-iodacyclohexa-1,5-dien-2-amine (PubChem CID 144919225) has the molecular formula C67H65IN2O2 and a molecular weight of 1057.17 g/mol. Its IUPAC name is N-(6-cyclopentyldibenzofuran-4-yl)-N-[[(9Z)-6-(N-(6-cyclopentyldibenzofuran-4-yl)-4-propan-2-ylanilino)-9-ethylidenephenalen-1-yl]methyl]-5-propan-2-yl-1λ3-iodacyclohexa-1,5-dien-2-amine.

Molecular Properties

Compound NameN-(6-cyclopentyldibenzofuran-4-yl)-N-[[(9Z)-6-(N-(6-cyclopentyldibenzofuran-4-yl)-4-propan-2-ylanilino)-9-ethylidenephenalen-1-yl]methyl]-5-propan-2-yl-1λ3-iodacyclohexa-1,5-dien-2-amine
PubChem CID144919225
Molecular FormulaC67H65IN2O2
Molecular Weight1057.17 g/mol
Exact Mass1056.41
IUPAC NameN-(6-cyclopentyldibenzofuran-4-yl)-N-[[(9Z)-6-(N-(6-cyclopentyldibenzofuran-4-yl)-4-propan-2-ylanilino)-9-ethylidenephenalen-1-yl]methyl]-5-propan-2-yl-1λ3-iodacyclohexa-1,5-dien-2-amine
SMILESC/C=c1/ccc2c(N(c3ccc(C(C)C)cc3)c3cccc4c3oc3c(C5CCCC5)cccc34)ccc3ccc(CN(C4=IC=C(C(C)C)CC4)c4cccc5c4oc4c(C6CCCC6)cccc45)c1c32
InChIInChI=1S/C67H65IN2O2/c1-6-43-31-36-57-58(70(50-34-29-44(30-35-50)41(2)3)60-26-14-24-56-54-22-12-20-52(46-17-9-10-18-46)65(54)72-67(56)60)37-32-47-27-28-49(62(43)63(47)57)40-69(61-38-33-48(39-68-61)42(4)5)59-25-13-23-55-53-21-11-19-51(45-15-7-8-16-45)64(53)71-66(55)59/h6,11-14,19-32,34-37,39,41-42,45-46H,7-10,15-18,33,38,40H2,1-5H3/b43-6-
InChIKeyOICRYSHPVUCBOB-PWPCVSDASA-N
XLogP19.66
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.17
LogP ≤ 519.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(6-cyclopentyldibenzofuran-4-yl)-N-[[(9Z)-6-(N-(6-cyclopentyldibenzofuran-4-yl)-4-propan-2-ylanilino)-9-ethylidenephenalen-1-yl]methyl]-5-propan-2-yl-1λ3-iodacyclohexa-1,5-dien-2-amine with MolForge

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Related Compounds

1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
CID 144918646
6-cyclopentyl-N-[[(9Z)-9-ethylidene-6-methylphenalen-1-yl]methyl]-N-(6-methyl-5-methylidenehept-1-en-2-yl)dibenzofuran-4-amine
CID 144918694
N-[1-[(9Z)-6-(4-cyclohexyl-N-(6-cyclohexyldibenzofuran-4-yl)anilino)-9-ethylidenephenalen-1-yl]ethenyl]-N-(4-heptan-4-ylphenyl)-6-octyldibenzofuran-4-amine
CID 144919227
1-N-(4-tert-butylphenyl)-1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-6-N-[4-(1-methylcyclobutyl)phenyl]pyrene-1,6-diamine
CID 126699108
5-N,9-N-bis(6-cyclopentyldibenzofuran-4-yl)-7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)benzo[c]fluorene-5,9-diamine
CID 90139959
6-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(6-ethyldibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(4-fluorophenyl)-6-N,22-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(6-phenyldibenzofuran-4-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine
CID 158292297
1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine
CID 162104018
1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-(iodomethyl)phenyl]-6-N-(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 144918952
13-N,28-N-bis(6-cyclohexyldibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 138506898
1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
CID 159264056
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 90263193
6-cyclohexyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 134527995

Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopentyldibenzofuran-4-yl)-N-[[(9Z)-6-(N-(6-cyclopentyldibenzofuran-4-yl)-4-propan-2-ylanilino)-9-ethylidenephenalen-1-yl]methyl]-5-propan-2-yl-1λ3-iodacyclohexa-1,5-dien-2-amine?
The IUPAC name of N-(6-cyclopentyldibenzofuran-4-yl)-N-[[(9Z)-6-(N-(6-cyclopentyldibenzofuran-4-yl)-4-propan-2-ylanilino)-9-ethylidenephenalen-1-yl]methyl]-5-propan-2-yl-1λ3-iodacyclohexa-1,5-dien-2-amine (CID 144919225) is N-(6-cyclopentyldibenzofuran-4-yl)-N-[[(9Z)-6-(N-(6-cyclopentyldibenzofuran-4-yl)-4-propan-2-ylanilino)-9-ethylidenephenalen-1-yl]methyl]-5-propan-2-yl-1λ3-iodacyclohexa-1,5-dien-2-amine.
What is the SMILES notation for N-(6-cyclopentyldibenzofuran-4-yl)-N-[[(9Z)-6-(N-(6-cyclopentyldibenzofuran-4-yl)-4-propan-2-ylanilino)-9-ethylidenephenalen-1-yl]methyl]-5-propan-2-yl-1λ3-iodacyclohexa-1,5-dien-2-amine?
The canonical SMILES for N-(6-cyclopentyldibenzofuran-4-yl)-N-[[(9Z)-6-(N-(6-cyclopentyldibenzofuran-4-yl)-4-propan-2-ylanilino)-9-ethylidenephenalen-1-yl]methyl]-5-propan-2-yl-1λ3-iodacyclohexa-1,5-dien-2-amine is C/C=c1/ccc2c(N(c3ccc(C(C)C)cc3)c3cccc4c3oc3c(C5CCCC5)cccc34)ccc3ccc(CN(C4=IC=C(C(C)C)CC4)c4cccc5c4oc4c(C6CCCC6)cccc45)c1c32.
What is the InChIKey of N-(6-cyclopentyldibenzofuran-4-yl)-N-[[(9Z)-6-(N-(6-cyclopentyldibenzofuran-4-yl)-4-propan-2-ylanilino)-9-ethylidenephenalen-1-yl]methyl]-5-propan-2-yl-1λ3-iodacyclohexa-1,5-dien-2-amine?
The InChIKey is OICRYSHPVUCBOB-PWPCVSDASA-N. The full InChI is InChI=1S/C67H65IN2O2/c1-6-43-31-36-57-58(70(50-34-29-44(30-35-50)41(2)3)60-26-14-24-56-54-22-12-20-52(46-17-9-10-18-46)65(54)72-67(56)60)37-32-47-27-28-49(62(43)63(47)57)40-69(61-38-33-48(39-68-61)42(4)5)59-25-13-23-55-53-21-11-19-51(45-15-7-8-16-45)64(53)71-66(55)59/h6,11-14,19-32,34-37,39,41-42,45-46H,7-10,15-18,33,38,40H2,1-5H3/b43-6-.
What are the key properties of N-(6-cyclopentyldibenzofuran-4-yl)-N-[[(9Z)-6-(N-(6-cyclopentyldibenzofuran-4-yl)-4-propan-2-ylanilino)-9-ethylidenephenalen-1-yl]methyl]-5-propan-2-yl-1λ3-iodacyclohexa-1,5-dien-2-amine?
N-(6-cyclopentyldibenzofuran-4-yl)-N-[[(9Z)-6-(N-(6-cyclopentyldibenzofuran-4-yl)-4-propan-2-ylanilino)-9-ethylidenephenalen-1-yl]methyl]-5-propan-2-yl-1λ3-iodacyclohexa-1,5-dien-2-amine has a molecular weight of 1057.17 g/mol, XLogP of 19.66, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclopentyldibenzofuran-4-yl)-N-[[(9Z)-6-(N-(6-cyclopentyldibenzofuran-4-yl)-4-propan-2-ylanilino)-9-ethylidenephenalen-1-yl]methyl]-5-propan-2-yl-1λ3-iodacyclohexa-1,5-dien-2-amine is sourced from PubChem (CID 144919225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).