anthracen-9-ylmethyl N,N-bis(2-propyldecyl)carbamate;bis(anthracen-9-ylmethyl N,N-bis(2-propylnonyl)carbamate);anthracen-9-ylmethyl N,N-ditert-butylcarbamate;(2-nitrophenyl)methyl N,N-bis(3,3-dimethylbutyl)carbamate;(2-nitrophenyl)methyl N,N-bis(2,2-dimethylpropyl)carbamate;(2-nitrophenyl)methyl N,N-ditert-butylcarbamate

C200H300N10O20 — CID 159846085

IUPACanthracen-9-ylmethyl N,N-bis(2-propyldecyl)carbamate;bis(anthracen-9-ylmethyl N,N-bis(2-propylnonyl)carbamate);anthracen-9-ylmethyl N,N-ditert-butylcarbamate;(2-nitrophenyl)methyl N,N-bis(3,3-dimethylbutyl)carbamate;(2-nitrophenyl)methyl N,N-bis(2,2-dimethylpropyl)carbamate;(2-nitrophenyl)methyl N,N-ditert-butylcarbamate
SMILESCC(C)(C)CCN(CCC(C)(C)C)C(=O)OCc1ccccc1[N+](=O)[O-].CC(C)(C)CN(CC(C)(C)C)C(=O)OCc1ccccc1[N+](=O)[O-].CC(C)(C)N(C(=O)OCc1c2ccccc2cc2ccccc12)C(C)(C)C.CC(C)(C)N(C(=O)OCc1ccccc1[N+](=O)[O-])C(C)(C)C.CCCCCCCC(CCC)CN(CC(CCC)CCCCCCC)C(=O)OCc1c2ccccc2cc2ccccc12.CCCCCCCC(CCC)CN(CC(CCC)CCCCCCC)C(=O)OCc1c2ccccc2cc2ccccc12.CCCCCCCCC(CCC)CN(CC(CCC)CCCCCCCC)C(=O)OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C42H65NO2.2C40H61NO2.C24H29NO2.C20H32N2O4.C18H28N2O4.C16H24N2O4/c1-5-9-11-13-15-17-25-35(23-7-3)32-43(33-36(24-8-4)26-18-16-14-12-10-6-2)42(44)45-34-41-39-29-21-19-27-37(39)31-38-28-20-22-30-40(38)41;2*1-5-9-11-13-15-23-33(21-7-3)30-41(31-34(22-8-4)24-16-14-12-10-6-2)40(42)43-32-39-37-27-19-17-25-35(37)29-36-26-18-20-28-38(36)39;1-23(2,3)25(24(4,5)6)22(26)27-16-21-19-13-9-7-11-17(19)15-18-12-8-10-14-20(18)21;1-19(2,3)11-13-21(14-12-20(4,5)6)18(23)26-15-16-9-7-8-10-17(16)22(24)25;1-17(2,3)12-19(13-18(4,5)6)16(21)24-11-14-9-7-8-10-15(14)20(22)23;1-15(2,3)17(16(4,5)6)14(19)22-11-12-9-7-8-10-13(12)18(20)21/h19-22,27-31,35-36H,5-18,23-26,32-34H2,1-4H3;2*17-20,25-29,33-34H,5-16,21-24,30-32H2,1-4H3;7-15H,16H2,1-6H3;7-10H,11-15H2,1-6H3;7-10H,11-13H2,1-6H3;7-10H,11H2,1-6H3
InChIKeyNPHYDWIYQCQPAF-UHFFFAOYSA-N
MW3164.65 g/mol
LogP58.93
Rot. Bonds85

About anthracen-9-ylmethyl N,N-bis(2-propyldecyl)carbamate;bis(anthracen-9-ylmethyl N,N-bis(2-propylnonyl)carbamate);anthracen-9-ylmethyl N,N-ditert-butylcarbamate;(2-nitrophenyl)methyl N,N-bis(3,3-dimethylbutyl)carbamate;(2-nitrophenyl)methyl N,N-bis(2,2-dimethylpropyl)carbamate;(2-nitrophenyl)methyl N,N-ditert-butylcarbamate

anthracen-9-ylmethyl N,N-bis(2-propyldecyl)carbamate;bis(anthracen-9-ylmethyl N,N-bis(2-propylnonyl)carbamate);anthracen-9-ylmethyl N,N-ditert-butylcarbamate;(2-nitrophenyl)methyl N,N-bis(3,3-dimethylbutyl)carbamate;(2-nitrophenyl)methyl N,N-bis(2,2-dimethylpropyl)carbamate;(2-nitrophenyl)methyl N,N-ditert-butylcarbamate (PubChem CID 159846085) has the molecular formula C200H300N10O20 and a molecular weight of 3164.65 g/mol. Its IUPAC name is anthracen-9-ylmethyl N,N-bis(2-propyldecyl)carbamate;bis(anthracen-9-ylmethyl N,N-bis(2-propylnonyl)carbamate);anthracen-9-ylmethyl N,N-ditert-butylcarbamate;(2-nitrophenyl)methyl N,N-bis(3,3-dimethylbutyl)carbamate;(2-nitrophenyl)methyl N,N-bis(2,2-dimethylpropyl)carbamate;(2-nitrophenyl)methyl N,N-ditert-butylcarbamate.

Molecular Properties

Compound Nameanthracen-9-ylmethyl N,N-bis(2-propyldecyl)carbamate;bis(anthracen-9-ylmethyl N,N-bis(2-propylnonyl)carbamate);anthracen-9-ylmethyl N,N-ditert-butylcarbamate;(2-nitrophenyl)methyl N,N-bis(3,3-dimethylbutyl)carbamate;(2-nitrophenyl)methyl N,N-bis(2,2-dimethylpropyl)carbamate;(2-nitrophenyl)methyl N,N-ditert-butylcarbamate
PubChem CID159846085
Molecular FormulaC200H300N10O20
Molecular Weight3164.65 g/mol
Exact Mass3162.28
IUPAC Nameanthracen-9-ylmethyl N,N-bis(2-propyldecyl)carbamate;bis(anthracen-9-ylmethyl N,N-bis(2-propylnonyl)carbamate);anthracen-9-ylmethyl N,N-ditert-butylcarbamate;(2-nitrophenyl)methyl N,N-bis(3,3-dimethylbutyl)carbamate;(2-nitrophenyl)methyl N,N-bis(2,2-dimethylpropyl)carbamate;(2-nitrophenyl)methyl N,N-ditert-butylcarbamate
SMILESCC(C)(C)CCN(CCC(C)(C)C)C(=O)OCc1ccccc1[N+](=O)[O-].CC(C)(C)CN(CC(C)(C)C)C(=O)OCc1ccccc1[N+](=O)[O-].CC(C)(C)N(C(=O)OCc1c2ccccc2cc2ccccc12)C(C)(C)C.CC(C)(C)N(C(=O)OCc1ccccc1[N+](=O)[O-])C(C)(C)C.CCCCCCCC(CCC)CN(CC(CCC)CCCCCCC)C(=O)OCc1c2ccccc2cc2ccccc12.CCCCCCCC(CCC)CN(CC(CCC)CCCCCCC)C(=O)OCc1c2ccccc2cc2ccccc12.CCCCCCCCC(CCC)CN(CC(CCC)CCCCCCCC)C(=O)OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C42H65NO2.2C40H61NO2.C24H29NO2.C20H32N2O4.C18H28N2O4.C16H24N2O4/c1-5-9-11-13-15-17-25-35(23-7-3)32-43(33-36(24-8-4)26-18-16-14-12-10-6-2)42(44)45-34-41-39-29-21-19-27-37(39)31-38-28-20-22-30-40(38)41;2*1-5-9-11-13-15-23-33(21-7-3)30-41(31-34(22-8-4)24-16-14-12-10-6-2)40(42)43-32-39-37-27-19-17-25-35(37)29-36-26-18-20-28-38(36)39;1-23(2,3)25(24(4,5)6)22(26)27-16-21-19-13-9-7-11-17(19)15-18-12-8-10-14-20(18)21;1-19(2,3)11-13-21(14-12-20(4,5)6)18(23)26-15-16-9-7-8-10-17(16)22(24)25;1-17(2,3)12-19(13-18(4,5)6)16(21)24-11-14-9-7-8-10-15(14)20(22)23;1-15(2,3)17(16(4,5)6)14(19)22-11-12-9-7-8-10-13(12)18(20)21/h19-22,27-31,35-36H,5-18,23-26,32-34H2,1-4H3;2*17-20,25-29,33-34H,5-16,21-24,30-32H2,1-4H3;7-15H,16H2,1-6H3;7-10H,11-15H2,1-6H3;7-10H,11-13H2,1-6H3;7-10H,11H2,1-6H3
InChIKeyNPHYDWIYQCQPAF-UHFFFAOYSA-N
XLogP58.93
TPSA336.20 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds85
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003164.65
LogP ≤ 558.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze anthracen-9-ylmethyl N,N-bis(2-propyldecyl)carbamate;bis(anthracen-9-ylmethyl N,N-bis(2-propylnonyl)carbamate);anthracen-9-ylmethyl N,N-ditert-butylcarbamate;(2-nitrophenyl)methyl N,N-bis(3,3-dimethylbutyl)carbamate;(2-nitrophenyl)methyl N,N-bis(2,2-dimethylpropyl)carbamate;(2-nitrophenyl)methyl N,N-ditert-butylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethyl N,N-bis(2-propyldecyl)carbamate;bis(anthracen-9-ylmethyl N,N-bis(2-propylnonyl)carbamate);anthracen-9-ylmethyl N,N-ditert-butylcarbamate;(2-nitrophenyl)methyl N,N-bis(3,3-dimethylbutyl)carbamate;(2-nitrophenyl)methyl N,N-bis(2,2-dimethylpropyl)carbamate;(2-nitrophenyl)methyl N,N-ditert-butylcarbamate?
The IUPAC name of anthracen-9-ylmethyl N,N-bis(2-propyldecyl)carbamate;bis(anthracen-9-ylmethyl N,N-bis(2-propylnonyl)carbamate);anthracen-9-ylmethyl N,N-ditert-butylcarbamate;(2-nitrophenyl)methyl N,N-bis(3,3-dimethylbutyl)carbamate;(2-nitrophenyl)methyl N,N-bis(2,2-dimethylpropyl)carbamate;(2-nitrophenyl)methyl N,N-ditert-butylcarbamate (CID 159846085) is anthracen-9-ylmethyl N,N-bis(2-propyldecyl)carbamate;bis(anthracen-9-ylmethyl N,N-bis(2-propylnonyl)carbamate);anthracen-9-ylmethyl N,N-ditert-butylcarbamate;(2-nitrophenyl)methyl N,N-bis(3,3-dimethylbutyl)carbamate;(2-nitrophenyl)methyl N,N-bis(2,2-dimethylpropyl)carbamate;(2-nitrophenyl)methyl N,N-ditert-butylcarbamate.
What is the SMILES notation for anthracen-9-ylmethyl N,N-bis(2-propyldecyl)carbamate;bis(anthracen-9-ylmethyl N,N-bis(2-propylnonyl)carbamate);anthracen-9-ylmethyl N,N-ditert-butylcarbamate;(2-nitrophenyl)methyl N,N-bis(3,3-dimethylbutyl)carbamate;(2-nitrophenyl)methyl N,N-bis(2,2-dimethylpropyl)carbamate;(2-nitrophenyl)methyl N,N-ditert-butylcarbamate?
The canonical SMILES for anthracen-9-ylmethyl N,N-bis(2-propyldecyl)carbamate;bis(anthracen-9-ylmethyl N,N-bis(2-propylnonyl)carbamate);anthracen-9-ylmethyl N,N-ditert-butylcarbamate;(2-nitrophenyl)methyl N,N-bis(3,3-dimethylbutyl)carbamate;(2-nitrophenyl)methyl N,N-bis(2,2-dimethylpropyl)carbamate;(2-nitrophenyl)methyl N,N-ditert-butylcarbamate is CC(C)(C)CCN(CCC(C)(C)C)C(=O)OCc1ccccc1[N+](=O)[O-].CC(C)(C)CN(CC(C)(C)C)C(=O)OCc1ccccc1[N+](=O)[O-].CC(C)(C)N(C(=O)OCc1c2ccccc2cc2ccccc12)C(C)(C)C.CC(C)(C)N(C(=O)OCc1ccccc1[N+](=O)[O-])C(C)(C)C.CCCCCCCC(CCC)CN(CC(CCC)CCCCCCC)C(=O)OCc1c2ccccc2cc2ccccc12.CCCCCCCC(CCC)CN(CC(CCC)CCCCCCC)C(=O)OCc1c2ccccc2cc2ccccc12.CCCCCCCCC(CCC)CN(CC(CCC)CCCCCCCC)C(=O)OCc1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-ylmethyl N,N-bis(2-propyldecyl)carbamate;bis(anthracen-9-ylmethyl N,N-bis(2-propylnonyl)carbamate);anthracen-9-ylmethyl N,N-ditert-butylcarbamate;(2-nitrophenyl)methyl N,N-bis(3,3-dimethylbutyl)carbamate;(2-nitrophenyl)methyl N,N-bis(2,2-dimethylpropyl)carbamate;(2-nitrophenyl)methyl N,N-ditert-butylcarbamate?
The InChIKey is NPHYDWIYQCQPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H65NO2.2C40H61NO2.C24H29NO2.C20H32N2O4.C18H28N2O4.C16H24N2O4/c1-5-9-11-13-15-17-25-35(23-7-3)32-43(33-36(24-8-4)26-18-16-14-12-10-6-2)42(44)45-34-41-39-29-21-19-27-37(39)31-38-28-20-22-30-40(38)41;2*1-5-9-11-13-15-23-33(21-7-3)30-41(31-34(22-8-4)24-16-14-12-10-6-2)40(42)43-32-39-37-27-19-17-25-35(37)29-36-26-18-20-28-38(36)39;1-23(2,3)25(24(4,5)6)22(26)27-16-21-19-13-9-7-11-17(19)15-18-12-8-10-14-20(18)21;1-19(2,3)11-13-21(14-12-20(4,5)6)18(23)26-15-16-9-7-8-10-17(16)22(24)25;1-17(2,3)12-19(13-18(4,5)6)16(21)24-11-14-9-7-8-10-15(14)20(22)23;1-15(2,3)17(16(4,5)6)14(19)22-11-12-9-7-8-10-13(12)18(20)21/h19-22,27-31,35-36H,5-18,23-26,32-34H2,1-4H3;2*17-20,25-29,33-34H,5-16,21-24,30-32H2,1-4H3;7-15H,16H2,1-6H3;7-10H,11-15H2,1-6H3;7-10H,11-13H2,1-6H3;7-10H,11H2,1-6H3.
What are the key properties of anthracen-9-ylmethyl N,N-bis(2-propyldecyl)carbamate;bis(anthracen-9-ylmethyl N,N-bis(2-propylnonyl)carbamate);anthracen-9-ylmethyl N,N-ditert-butylcarbamate;(2-nitrophenyl)methyl N,N-bis(3,3-dimethylbutyl)carbamate;(2-nitrophenyl)methyl N,N-bis(2,2-dimethylpropyl)carbamate;(2-nitrophenyl)methyl N,N-ditert-butylcarbamate?
anthracen-9-ylmethyl N,N-bis(2-propyldecyl)carbamate;bis(anthracen-9-ylmethyl N,N-bis(2-propylnonyl)carbamate);anthracen-9-ylmethyl N,N-ditert-butylcarbamate;(2-nitrophenyl)methyl N,N-bis(3,3-dimethylbutyl)carbamate;(2-nitrophenyl)methyl N,N-bis(2,2-dimethylpropyl)carbamate;(2-nitrophenyl)methyl N,N-ditert-butylcarbamate has a molecular weight of 3164.65 g/mol, XLogP of 58.93, 85 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-ylmethyl N,N-bis(2-propyldecyl)carbamate;bis(anthracen-9-ylmethyl N,N-bis(2-propylnonyl)carbamate);anthracen-9-ylmethyl N,N-ditert-butylcarbamate;(2-nitrophenyl)methyl N,N-bis(3,3-dimethylbutyl)carbamate;(2-nitrophenyl)methyl N,N-bis(2,2-dimethylpropyl)carbamate;(2-nitrophenyl)methyl N,N-ditert-butylcarbamate is sourced from PubChem (CID 159846085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).