[12-(2-ethylhexyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]-(2-methylphenyl)methanone;[5-(2-ethylhexyl)benzo[b]carbazol-9-yl]-(2-methylphenyl)methanone;[7-(2-ethylhexyl)benzo[c]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone;[7-(2-ethylhexyl)-3-(2,4,6-trimethylbenzoyl)benzo[c]carbazol-10-yl]-(2-methylphenyl)methanone

C144H148N4O5 — CID 164988608

IUPAC[12-(2-ethylhexyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]-(2-methylphenyl)methanone;[5-(2-ethylhexyl)benzo[b]carbazol-9-yl]-(2-methylphenyl)methanone;[7-(2-ethylhexyl)benzo[c]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone;[7-(2-ethylhexyl)-3-(2,4,6-trimethylbenzoyl)benzo[c]carbazol-10-yl]-(2-methylphenyl)methanone
SMILESCCCCC(CC)Cn1c2ccc(C(=O)c3ccccc3C)cc2c2c3ccc(C(=O)c4c(C)cc(C)cc4C)cc3ccc21.CCCCC(CC)Cn1c2ccc3ccccc3c2c2c3ccc(C(=O)c4ccccc4C)cc3ccc21.CCCCC(CC)Cn1c2ccccc2c2c3ccc(C(=O)c4c(C)cc(C)cc4C)cc3ccc21.CCCCC(CC)Cn1c2ccccc2c2cc3cc(C(=O)c4ccccc4C)ccc3cc21
InChIInChI=1S/C42H43NO2.C36H35NO.C34H37NO.C32H33NO/c1-7-9-13-30(8-2)25-43-37-19-17-33(41(44)34-14-11-10-12-27(34)4)24-36(37)40-35-18-15-32(23-31(35)16-20-38(40)43)42(45)39-28(5)21-26(3)22-29(39)6;1-4-6-12-25(5-2)23-37-32-20-17-26-13-8-10-15-30(26)34(32)35-31-19-16-28(22-27(31)18-21-33(35)37)36(38)29-14-9-7-11-24(29)3;1-6-8-11-25(7-2)21-35-30-13-10-9-12-29(30)33-28-16-14-27(20-26(28)15-17-31(33)35)34(36)32-23(4)18-22(3)19-24(32)5;1-4-6-12-23(5-2)21-33-30-15-10-9-14-28(30)29-19-26-18-25(17-16-24(26)20-31(29)33)32(34)27-13-8-7-11-22(27)3/h10-12,14-24,30H,7-9,13,25H2,1-6H3;7-11,13-22,25H,4-6,12,23H2,1-3H3;9-10,12-20,25H,6-8,11,21H2,1-5H3;7-11,13-20,23H,4-6,12,21H2,1-3H3
InChIKeyGNHZMERPXFQBAZ-UHFFFAOYSA-N
MW2014.79 g/mol
LogP38.74
Rot. Bonds34

About [12-(2-ethylhexyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]-(2-methylphenyl)methanone;[5-(2-ethylhexyl)benzo[b]carbazol-9-yl]-(2-methylphenyl)methanone;[7-(2-ethylhexyl)benzo[c]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone;[7-(2-ethylhexyl)-3-(2,4,6-trimethylbenzoyl)benzo[c]carbazol-10-yl]-(2-methylphenyl)methanone

[12-(2-ethylhexyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]-(2-methylphenyl)methanone;[5-(2-ethylhexyl)benzo[b]carbazol-9-yl]-(2-methylphenyl)methanone;[7-(2-ethylhexyl)benzo[c]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone;[7-(2-ethylhexyl)-3-(2,4,6-trimethylbenzoyl)benzo[c]carbazol-10-yl]-(2-methylphenyl)methanone (PubChem CID 164988608) has the molecular formula C144H148N4O5 and a molecular weight of 2014.79 g/mol. Its IUPAC name is [12-(2-ethylhexyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]-(2-methylphenyl)methanone;[5-(2-ethylhexyl)benzo[b]carbazol-9-yl]-(2-methylphenyl)methanone;[7-(2-ethylhexyl)benzo[c]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone;[7-(2-ethylhexyl)-3-(2,4,6-trimethylbenzoyl)benzo[c]carbazol-10-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[12-(2-ethylhexyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]-(2-methylphenyl)methanone;[5-(2-ethylhexyl)benzo[b]carbazol-9-yl]-(2-methylphenyl)methanone;[7-(2-ethylhexyl)benzo[c]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone;[7-(2-ethylhexyl)-3-(2,4,6-trimethylbenzoyl)benzo[c]carbazol-10-yl]-(2-methylphenyl)methanone
PubChem CID164988608
Molecular FormulaC144H148N4O5
Molecular Weight2014.79 g/mol
Exact Mass2013.14
IUPAC Name[12-(2-ethylhexyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]-(2-methylphenyl)methanone;[5-(2-ethylhexyl)benzo[b]carbazol-9-yl]-(2-methylphenyl)methanone;[7-(2-ethylhexyl)benzo[c]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone;[7-(2-ethylhexyl)-3-(2,4,6-trimethylbenzoyl)benzo[c]carbazol-10-yl]-(2-methylphenyl)methanone
SMILESCCCCC(CC)Cn1c2ccc(C(=O)c3ccccc3C)cc2c2c3ccc(C(=O)c4c(C)cc(C)cc4C)cc3ccc21.CCCCC(CC)Cn1c2ccc3ccccc3c2c2c3ccc(C(=O)c4ccccc4C)cc3ccc21.CCCCC(CC)Cn1c2ccccc2c2c3ccc(C(=O)c4c(C)cc(C)cc4C)cc3ccc21.CCCCC(CC)Cn1c2ccccc2c2cc3cc(C(=O)c4ccccc4C)ccc3cc21
InChIInChI=1S/C42H43NO2.C36H35NO.C34H37NO.C32H33NO/c1-7-9-13-30(8-2)25-43-37-19-17-33(41(44)34-14-11-10-12-27(34)4)24-36(37)40-35-18-15-32(23-31(35)16-20-38(40)43)42(45)39-28(5)21-26(3)22-29(39)6;1-4-6-12-25(5-2)23-37-32-20-17-26-13-8-10-15-30(26)34(32)35-31-19-16-28(22-27(31)18-21-33(35)37)36(38)29-14-9-7-11-24(29)3;1-6-8-11-25(7-2)21-35-30-13-10-9-12-29(30)33-28-16-14-27(20-26(28)15-17-31(33)35)34(36)32-23(4)18-22(3)19-24(32)5;1-4-6-12-23(5-2)21-33-30-15-10-9-14-28(30)29-19-26-18-25(17-16-24(26)20-31(29)33)32(34)27-13-8-7-11-22(27)3/h10-12,14-24,30H,7-9,13,25H2,1-6H3;7-11,13-22,25H,4-6,12,23H2,1-3H3;9-10,12-20,25H,6-8,11,21H2,1-5H3;7-11,13-20,23H,4-6,12,21H2,1-3H3
InChIKeyGNHZMERPXFQBAZ-UHFFFAOYSA-N
XLogP38.74
TPSA105.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds34
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002014.79
LogP ≤ 538.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [12-(2-ethylhexyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]-(2-methylphenyl)methanone;[5-(2-ethylhexyl)benzo[b]carbazol-9-yl]-(2-methylphenyl)methanone;[7-(2-ethylhexyl)benzo[c]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone;[7-(2-ethylhexyl)-3-(2,4,6-trimethylbenzoyl)benzo[c]carbazol-10-yl]-(2-methylphenyl)methanone with MolForge

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Related Compounds

[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2-methoxyethoxy)phenyl]methanone
CID 142715472
[11-(2-ethylhexyl)-8-(C-ethyl-N-hydroxycarbonimidoyl)benzo[a]carbazol-5-yl]-(2,4,6-trimethylphenyl)methanone
CID 174682975
[(E)-[[11-(2-ethylhexyl)-3-methoxy-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methylidene]amino] acetate
CID 87281153
[11-(2-ethylhexyl)-8-[(E)-N-hydroxy-C-[2-(2-methoxyethoxy)phenyl]carbonimidoyl]benzo[a]carbazol-5-yl]-(2,4,6-trimethylphenyl)methanone
CID 87281144
9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide
CID 100974240
[9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone
CID 70957250
(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 175814606
22-(2-ethylhexyl)-10-thia-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene
CID 25212620
[(Z)-[[4-[(E)-but-2-en-2-yl]phenyl]-[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]methylidene]amino] acetate
CID 88586993
22-hexyl-22-azahexacyclo[12.11.0.03,12.05,10.015,23.016,21]pentacosa-1,3,5,7,9,11,13,15(23),16,18,20,24-dodecaene
CID 135031023
ethyl 2-chloro-2-oxoacetate;ethyl 2-[6-(2-ethoxy-2-oxoacetyl)-9-(2-ethylhexyl)carbazol-3-yl]-2-oxoacetate;9-(2-ethylhexyl)carbazole
CID 159593255
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
CID 144844132

Frequently Asked Questions

What is the IUPAC name of [12-(2-ethylhexyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]-(2-methylphenyl)methanone;[5-(2-ethylhexyl)benzo[b]carbazol-9-yl]-(2-methylphenyl)methanone;[7-(2-ethylhexyl)benzo[c]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone;[7-(2-ethylhexyl)-3-(2,4,6-trimethylbenzoyl)benzo[c]carbazol-10-yl]-(2-methylphenyl)methanone?
The IUPAC name of [12-(2-ethylhexyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]-(2-methylphenyl)methanone;[5-(2-ethylhexyl)benzo[b]carbazol-9-yl]-(2-methylphenyl)methanone;[7-(2-ethylhexyl)benzo[c]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone;[7-(2-ethylhexyl)-3-(2,4,6-trimethylbenzoyl)benzo[c]carbazol-10-yl]-(2-methylphenyl)methanone (CID 164988608) is [12-(2-ethylhexyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]-(2-methylphenyl)methanone;[5-(2-ethylhexyl)benzo[b]carbazol-9-yl]-(2-methylphenyl)methanone;[7-(2-ethylhexyl)benzo[c]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone;[7-(2-ethylhexyl)-3-(2,4,6-trimethylbenzoyl)benzo[c]carbazol-10-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [12-(2-ethylhexyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]-(2-methylphenyl)methanone;[5-(2-ethylhexyl)benzo[b]carbazol-9-yl]-(2-methylphenyl)methanone;[7-(2-ethylhexyl)benzo[c]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone;[7-(2-ethylhexyl)-3-(2,4,6-trimethylbenzoyl)benzo[c]carbazol-10-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [12-(2-ethylhexyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]-(2-methylphenyl)methanone;[5-(2-ethylhexyl)benzo[b]carbazol-9-yl]-(2-methylphenyl)methanone;[7-(2-ethylhexyl)benzo[c]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone;[7-(2-ethylhexyl)-3-(2,4,6-trimethylbenzoyl)benzo[c]carbazol-10-yl]-(2-methylphenyl)methanone is CCCCC(CC)Cn1c2ccc(C(=O)c3ccccc3C)cc2c2c3ccc(C(=O)c4c(C)cc(C)cc4C)cc3ccc21.CCCCC(CC)Cn1c2ccc3ccccc3c2c2c3ccc(C(=O)c4ccccc4C)cc3ccc21.CCCCC(CC)Cn1c2ccccc2c2c3ccc(C(=O)c4c(C)cc(C)cc4C)cc3ccc21.CCCCC(CC)Cn1c2ccccc2c2cc3cc(C(=O)c4ccccc4C)ccc3cc21.
What is the InChIKey of [12-(2-ethylhexyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]-(2-methylphenyl)methanone;[5-(2-ethylhexyl)benzo[b]carbazol-9-yl]-(2-methylphenyl)methanone;[7-(2-ethylhexyl)benzo[c]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone;[7-(2-ethylhexyl)-3-(2,4,6-trimethylbenzoyl)benzo[c]carbazol-10-yl]-(2-methylphenyl)methanone?
The InChIKey is GNHZMERPXFQBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43NO2.C36H35NO.C34H37NO.C32H33NO/c1-7-9-13-30(8-2)25-43-37-19-17-33(41(44)34-14-11-10-12-27(34)4)24-36(37)40-35-18-15-32(23-31(35)16-20-38(40)43)42(45)39-28(5)21-26(3)22-29(39)6;1-4-6-12-25(5-2)23-37-32-20-17-26-13-8-10-15-30(26)34(32)35-31-19-16-28(22-27(31)18-21-33(35)37)36(38)29-14-9-7-11-24(29)3;1-6-8-11-25(7-2)21-35-30-13-10-9-12-29(30)33-28-16-14-27(20-26(28)15-17-31(33)35)34(36)32-23(4)18-22(3)19-24(32)5;1-4-6-12-23(5-2)21-33-30-15-10-9-14-28(30)29-19-26-18-25(17-16-24(26)20-31(29)33)32(34)27-13-8-7-11-22(27)3/h10-12,14-24,30H,7-9,13,25H2,1-6H3;7-11,13-22,25H,4-6,12,23H2,1-3H3;9-10,12-20,25H,6-8,11,21H2,1-5H3;7-11,13-20,23H,4-6,12,21H2,1-3H3.
What are the key properties of [12-(2-ethylhexyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]-(2-methylphenyl)methanone;[5-(2-ethylhexyl)benzo[b]carbazol-9-yl]-(2-methylphenyl)methanone;[7-(2-ethylhexyl)benzo[c]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone;[7-(2-ethylhexyl)-3-(2,4,6-trimethylbenzoyl)benzo[c]carbazol-10-yl]-(2-methylphenyl)methanone?
[12-(2-ethylhexyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]-(2-methylphenyl)methanone;[5-(2-ethylhexyl)benzo[b]carbazol-9-yl]-(2-methylphenyl)methanone;[7-(2-ethylhexyl)benzo[c]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone;[7-(2-ethylhexyl)-3-(2,4,6-trimethylbenzoyl)benzo[c]carbazol-10-yl]-(2-methylphenyl)methanone has a molecular weight of 2014.79 g/mol, XLogP of 38.74, 34 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [12-(2-ethylhexyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]-(2-methylphenyl)methanone;[5-(2-ethylhexyl)benzo[b]carbazol-9-yl]-(2-methylphenyl)methanone;[7-(2-ethylhexyl)benzo[c]carbazol-3-yl]-(2,4,6-trimethylphenyl)methanone;[7-(2-ethylhexyl)-3-(2,4,6-trimethylbenzoyl)benzo[c]carbazol-10-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 164988608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).