3-(7-cyclohexyl-1-methylbenzo[e]benzimidazol-2-yl)-7-(dibenzylamino)-4-(trifluoromethyl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(1-ethyl-7-phenylbenzo[e]benzimidazol-2-yl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(7-phenylbenzo[g][1,3]benzoxazol-2-yl)chromen-2-one;4-ethyl-3-(7-ethyl-1H-benzo[e]benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one

C192H222F3N11O9 — CID 157144633

IUPAC3-(7-cyclohexyl-1-methylbenzo[e]benzimidazol-2-yl)-7-(dibenzylamino)-4-(trifluoromethyl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(1-ethyl-7-phenylbenzo[e]benzimidazol-2-yl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(7-phenylbenzo[g][1,3]benzoxazol-2-yl)chromen-2-one;4-ethyl-3-(7-ethyl-1H-benzo[e]benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one
SMILESCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccc2cc(-c3nc4ccc5cc(-c6ccccc6)ccc5c4n3CC)c(=O)oc2c1.CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccc2cc(-c3nc4ccc5cc(-c6ccccc6)ccc5c4o3)c(=O)oc2c1.CCc1ccc2c(ccc3nc(-c4c(CC)c5ccc(N(c6ccccc6)c6ccccc6)cc5oc4=O)[nH]c32)c1.Cn1c(-c2c(C(F)(F)F)c3ccc(N(Cc4ccccc4)Cc4ccccc4)cc3oc2=O)nc2ccc3cc(C4CCCCC4)ccc3c21
InChIInChI=1S/C58H81N3O2.C56H76N2O3.C42H36F3N3O2.C36H29N3O2/c1-4-7-9-11-13-15-17-18-19-20-21-22-24-26-28-33-43-60(42-32-27-25-23-16-14-12-10-8-5-2)51-39-36-50-45-53(58(62)63-55(50)46-51)57-59-54-41-38-49-44-48(47-34-30-29-31-35-47)37-40-52(49)56(54)61(57)6-3;1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-31-41-58(40-30-25-23-21-14-12-10-8-6-4-2)49-37-34-48-43-51(56(59)60-53(48)44-49)55-57-52-39-36-47-42-46(45-32-28-27-29-33-45)35-38-50(47)54(52)61-55;1-47-39-33-20-17-30(29-15-9-4-10-16-29)23-31(33)18-22-35(39)46-40(47)37-38(42(43,44)45)34-21-19-32(24-36(34)50-41(37)49)48(25-27-11-5-2-6-12-27)26-28-13-7-3-8-14-28;1-3-23-15-18-29-24(21-23)16-20-31-34(29)38-35(37-31)33-28(4-2)30-19-17-27(22-32(30)41-36(33)40)39(25-11-7-5-8-12-25)26-13-9-6-10-14-26/h29-31,34-41,44-46H,4-28,32-33,42-43H2,1-3H3;27-29,32-39,42-44H,3-26,30-31,40-41H2,1-2H3;2-3,5-8,11-14,17-24,29H,4,9-10,15-16,25-26H2,1H3;5-22H,3-4H2,1-2H3,(H,37,38)
InChIKeyAKOKLBVJFZCPSC-UHFFFAOYSA-N
MW2884.95 g/mol
LogP54.91
Rot. Bonds76

About 3-(7-cyclohexyl-1-methylbenzo[e]benzimidazol-2-yl)-7-(dibenzylamino)-4-(trifluoromethyl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(1-ethyl-7-phenylbenzo[e]benzimidazol-2-yl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(7-phenylbenzo[g][1,3]benzoxazol-2-yl)chromen-2-one;4-ethyl-3-(7-ethyl-1H-benzo[e]benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one

3-(7-cyclohexyl-1-methylbenzo[e]benzimidazol-2-yl)-7-(dibenzylamino)-4-(trifluoromethyl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(1-ethyl-7-phenylbenzo[e]benzimidazol-2-yl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(7-phenylbenzo[g][1,3]benzoxazol-2-yl)chromen-2-one;4-ethyl-3-(7-ethyl-1H-benzo[e]benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one (PubChem CID 157144633) has the molecular formula C192H222F3N11O9 and a molecular weight of 2884.95 g/mol. Its IUPAC name is 3-(7-cyclohexyl-1-methylbenzo[e]benzimidazol-2-yl)-7-(dibenzylamino)-4-(trifluoromethyl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(1-ethyl-7-phenylbenzo[e]benzimidazol-2-yl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(7-phenylbenzo[g][1,3]benzoxazol-2-yl)chromen-2-one;4-ethyl-3-(7-ethyl-1H-benzo[e]benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one.

Molecular Properties

Compound Name3-(7-cyclohexyl-1-methylbenzo[e]benzimidazol-2-yl)-7-(dibenzylamino)-4-(trifluoromethyl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(1-ethyl-7-phenylbenzo[e]benzimidazol-2-yl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(7-phenylbenzo[g][1,3]benzoxazol-2-yl)chromen-2-one;4-ethyl-3-(7-ethyl-1H-benzo[e]benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one
PubChem CID157144633
Molecular FormulaC192H222F3N11O9
Molecular Weight2884.95 g/mol
Exact Mass2882.72
IUPAC Name3-(7-cyclohexyl-1-methylbenzo[e]benzimidazol-2-yl)-7-(dibenzylamino)-4-(trifluoromethyl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(1-ethyl-7-phenylbenzo[e]benzimidazol-2-yl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(7-phenylbenzo[g][1,3]benzoxazol-2-yl)chromen-2-one;4-ethyl-3-(7-ethyl-1H-benzo[e]benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one
SMILESCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccc2cc(-c3nc4ccc5cc(-c6ccccc6)ccc5c4n3CC)c(=O)oc2c1.CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccc2cc(-c3nc4ccc5cc(-c6ccccc6)ccc5c4o3)c(=O)oc2c1.CCc1ccc2c(ccc3nc(-c4c(CC)c5ccc(N(c6ccccc6)c6ccccc6)cc5oc4=O)[nH]c32)c1.Cn1c(-c2c(C(F)(F)F)c3ccc(N(Cc4ccccc4)Cc4ccccc4)cc3oc2=O)nc2ccc3cc(C4CCCCC4)ccc3c21
InChIInChI=1S/C58H81N3O2.C56H76N2O3.C42H36F3N3O2.C36H29N3O2/c1-4-7-9-11-13-15-17-18-19-20-21-22-24-26-28-33-43-60(42-32-27-25-23-16-14-12-10-8-5-2)51-39-36-50-45-53(58(62)63-55(50)46-51)57-59-54-41-38-49-44-48(47-34-30-29-31-35-47)37-40-52(49)56(54)61(57)6-3;1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-31-41-58(40-30-25-23-21-14-12-10-8-6-4-2)49-37-34-48-43-51(56(59)60-53(48)44-49)55-57-52-39-36-47-42-46(45-32-28-27-29-33-45)35-38-50(47)54(52)61-55;1-47-39-33-20-17-30(29-15-9-4-10-16-29)23-31(33)18-22-35(39)46-40(47)37-38(42(43,44)45)34-21-19-32(24-36(34)50-41(37)49)48(25-27-11-5-2-6-12-27)26-28-13-7-3-8-14-28;1-3-23-15-18-29-24(21-23)16-20-31-34(29)38-35(37-31)33-28(4-2)30-19-17-27(22-32(30)41-36(33)40)39(25-11-7-5-8-12-25)26-13-9-6-10-14-26/h29-31,34-41,44-46H,4-28,32-33,42-43H2,1-3H3;27-29,32-39,42-44H,3-26,30-31,40-41H2,1-2H3;2-3,5-8,11-14,17-24,29H,4,9-10,15-16,25-26H2,1H3;5-22H,3-4H2,1-2H3,(H,37,38)
InChIKeyAKOKLBVJFZCPSC-UHFFFAOYSA-N
XLogP54.91
TPSA224.15 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds76
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002884.95
LogP ≤ 554.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 3-(7-cyclohexyl-1-methylbenzo[e]benzimidazol-2-yl)-7-(dibenzylamino)-4-(trifluoromethyl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(1-ethyl-7-phenylbenzo[e]benzimidazol-2-yl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(7-phenylbenzo[g][1,3]benzoxazol-2-yl)chromen-2-one;4-ethyl-3-(7-ethyl-1H-benzo[e]benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(7-cyclohexyl-1-methylbenzo[e]benzimidazol-2-yl)-7-(dibenzylamino)-4-(trifluoromethyl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(1-ethyl-7-phenylbenzo[e]benzimidazol-2-yl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(7-phenylbenzo[g][1,3]benzoxazol-2-yl)chromen-2-one;4-ethyl-3-(7-ethyl-1H-benzo[e]benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one?
The IUPAC name of 3-(7-cyclohexyl-1-methylbenzo[e]benzimidazol-2-yl)-7-(dibenzylamino)-4-(trifluoromethyl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(1-ethyl-7-phenylbenzo[e]benzimidazol-2-yl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(7-phenylbenzo[g][1,3]benzoxazol-2-yl)chromen-2-one;4-ethyl-3-(7-ethyl-1H-benzo[e]benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one (CID 157144633) is 3-(7-cyclohexyl-1-methylbenzo[e]benzimidazol-2-yl)-7-(dibenzylamino)-4-(trifluoromethyl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(1-ethyl-7-phenylbenzo[e]benzimidazol-2-yl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(7-phenylbenzo[g][1,3]benzoxazol-2-yl)chromen-2-one;4-ethyl-3-(7-ethyl-1H-benzo[e]benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one.
What is the SMILES notation for 3-(7-cyclohexyl-1-methylbenzo[e]benzimidazol-2-yl)-7-(dibenzylamino)-4-(trifluoromethyl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(1-ethyl-7-phenylbenzo[e]benzimidazol-2-yl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(7-phenylbenzo[g][1,3]benzoxazol-2-yl)chromen-2-one;4-ethyl-3-(7-ethyl-1H-benzo[e]benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one?
The canonical SMILES for 3-(7-cyclohexyl-1-methylbenzo[e]benzimidazol-2-yl)-7-(dibenzylamino)-4-(trifluoromethyl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(1-ethyl-7-phenylbenzo[e]benzimidazol-2-yl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(7-phenylbenzo[g][1,3]benzoxazol-2-yl)chromen-2-one;4-ethyl-3-(7-ethyl-1H-benzo[e]benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one is CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccc2cc(-c3nc4ccc5cc(-c6ccccc6)ccc5c4n3CC)c(=O)oc2c1.CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccc2cc(-c3nc4ccc5cc(-c6ccccc6)ccc5c4o3)c(=O)oc2c1.CCc1ccc2c(ccc3nc(-c4c(CC)c5ccc(N(c6ccccc6)c6ccccc6)cc5oc4=O)[nH]c32)c1.Cn1c(-c2c(C(F)(F)F)c3ccc(N(Cc4ccccc4)Cc4ccccc4)cc3oc2=O)nc2ccc3cc(C4CCCCC4)ccc3c21.
What is the InChIKey of 3-(7-cyclohexyl-1-methylbenzo[e]benzimidazol-2-yl)-7-(dibenzylamino)-4-(trifluoromethyl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(1-ethyl-7-phenylbenzo[e]benzimidazol-2-yl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(7-phenylbenzo[g][1,3]benzoxazol-2-yl)chromen-2-one;4-ethyl-3-(7-ethyl-1H-benzo[e]benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one?
The InChIKey is AKOKLBVJFZCPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H81N3O2.C56H76N2O3.C42H36F3N3O2.C36H29N3O2/c1-4-7-9-11-13-15-17-18-19-20-21-22-24-26-28-33-43-60(42-32-27-25-23-16-14-12-10-8-5-2)51-39-36-50-45-53(58(62)63-55(50)46-51)57-59-54-41-38-49-44-48(47-34-30-29-31-35-47)37-40-52(49)56(54)61(57)6-3;1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-31-41-58(40-30-25-23-21-14-12-10-8-6-4-2)49-37-34-48-43-51(56(59)60-53(48)44-49)55-57-52-39-36-47-42-46(45-32-28-27-29-33-45)35-38-50(47)54(52)61-55;1-47-39-33-20-17-30(29-15-9-4-10-16-29)23-31(33)18-22-35(39)46-40(47)37-38(42(43,44)45)34-21-19-32(24-36(34)50-41(37)49)48(25-27-11-5-2-6-12-27)26-28-13-7-3-8-14-28;1-3-23-15-18-29-24(21-23)16-20-31-34(29)38-35(37-31)33-28(4-2)30-19-17-27(22-32(30)41-36(33)40)39(25-11-7-5-8-12-25)26-13-9-6-10-14-26/h29-31,34-41,44-46H,4-28,32-33,42-43H2,1-3H3;27-29,32-39,42-44H,3-26,30-31,40-41H2,1-2H3;2-3,5-8,11-14,17-24,29H,4,9-10,15-16,25-26H2,1H3;5-22H,3-4H2,1-2H3,(H,37,38).
What are the key properties of 3-(7-cyclohexyl-1-methylbenzo[e]benzimidazol-2-yl)-7-(dibenzylamino)-4-(trifluoromethyl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(1-ethyl-7-phenylbenzo[e]benzimidazol-2-yl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(7-phenylbenzo[g][1,3]benzoxazol-2-yl)chromen-2-one;4-ethyl-3-(7-ethyl-1H-benzo[e]benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one?
3-(7-cyclohexyl-1-methylbenzo[e]benzimidazol-2-yl)-7-(dibenzylamino)-4-(trifluoromethyl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(1-ethyl-7-phenylbenzo[e]benzimidazol-2-yl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(7-phenylbenzo[g][1,3]benzoxazol-2-yl)chromen-2-one;4-ethyl-3-(7-ethyl-1H-benzo[e]benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one has a molecular weight of 2884.95 g/mol, XLogP of 54.91, 76 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-cyclohexyl-1-methylbenzo[e]benzimidazol-2-yl)-7-(dibenzylamino)-4-(trifluoromethyl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(1-ethyl-7-phenylbenzo[e]benzimidazol-2-yl)chromen-2-one;7-[dodecyl(octadecyl)amino]-3-(7-phenylbenzo[g][1,3]benzoxazol-2-yl)chromen-2-one;4-ethyl-3-(7-ethyl-1H-benzo[e]benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one is sourced from PubChem (CID 157144633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).