21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;7H-benzo[c]carbazole;8-bromo-11H-benzo[a]carbazole;8-bromo-6,11-dihydro-5H-benzo[a]carbazole;9-bromophenanthrene;(4-bromophenyl)hydrazine;6,7-dihydro-5H-benzo[c]carbazole;3,4-dihydro-1H-naphthalen-2-one;3,4-dihydro-2H-naphthalen-1-one;3-methyl-11H-benzo[a]carbazole;3-methyl-6,11-dihydro-5H-benzo[a]carbazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;9-(2-nitrophenyl)phenanthrene;phenylhydrazine;trihydrochloride

C201H167Br4Cl3N14O5 — CID 162201756

IUPAC21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;7H-benzo[c]carbazole;8-bromo-11H-benzo[a]carbazole;8-bromo-6,11-dihydro-5H-benzo[a]carbazole;9-bromophenanthrene;(4-bromophenyl)hydrazine;6,7-dihydro-5H-benzo[c]carbazole;3,4-dihydro-1H-naphthalen-2-one;3,4-dihydro-2H-naphthalen-1-one;3-methyl-11H-benzo[a]carbazole;3-methyl-6,11-dihydro-5H-benzo[a]carbazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;9-(2-nitrophenyl)phenanthrene;phenylhydrazine;trihydrochloride
SMILESBrc1cc2ccccc2c2ccccc12.Brc1ccc2[nH]c3c(c2c1)CCc1ccccc1-3.Brc1ccc2[nH]c3c4ccccc4ccc3c2c1.Cc1ccc2c(c1)CCCC2=O.Cc1ccc2c(c1)CCc1c-2[nH]c2ccccc12.Cc1ccc2c(ccc3c4ccccc4[nH]c23)c1.Cl.Cl.Cl.NNc1ccc(Br)cc1.NNc1ccccc1.NNc1ccccc1.O=C1CCCc2ccccc21.O=C1CCc2ccccc2C1.O=[N+]([O-])c1ccccc1-c1cc2ccccc2c2ccccc12.c1ccc2c(c1)CCc1[nH]c3ccccc3c1-2.c1ccc2c(c1)[nH]c1c3ccccc3c3ccccc3c21.c1ccc2c(c1)ccc1[nH]c3ccccc3c12
InChIInChI=1S/C20H13NO2.C20H13N.C17H15N.C17H13N.C16H12BrN.C16H10BrN.C16H13N.C16H11N.C14H9Br.C11H12O.2C10H10O.C6H7BrN2.2C6H8N2.3ClH/c22-21(23)20-12-6-5-11-18(20)19-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)19;1-3-9-15-13(7-1)14-8-2-4-10-16(14)20-19(15)17-11-5-6-12-18(17)21-20;2*1-11-6-8-13-12(10-11)7-9-15-14-4-2-3-5-16(14)18-17(13)15;2*17-11-6-8-15-14(9-11)13-7-5-10-3-1-2-4-12(10)16(13)18-15;2*1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15;15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14;1-8-5-6-10-9(7-8)3-2-4-11(10)12;11-10-7-3-5-8-4-1-2-6-9(8)10;11-10-6-5-8-3-1-2-4-9(8)7-10;7-5-1-3-6(9-8)4-2-5;2*7-8-6-4-2-1-3-5-6;;;/h1-13H;1-12,21H;2-6,8,10,18H,7,9H2,1H3;2-10,18H,1H3;1-4,6,8-9,18H,5,7H2;1-9,18H;1-8,17H,9-10H2;1-10,17H;1-9H;5-7H,2-4H2,1H3;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-4,9H,8H2;2*1-5,8H,7H2;3*1H
InChIKeyPKYOCKCYFDZVEF-UHFFFAOYSA-N
MW3284.61 g/mol
LogP54.72
Rot. Bonds5

About 21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;7H-benzo[c]carbazole;8-bromo-11H-benzo[a]carbazole;8-bromo-6,11-dihydro-5H-benzo[a]carbazole;9-bromophenanthrene;(4-bromophenyl)hydrazine;6,7-dihydro-5H-benzo[c]carbazole;3,4-dihydro-1H-naphthalen-2-one;3,4-dihydro-2H-naphthalen-1-one;3-methyl-11H-benzo[a]carbazole;3-methyl-6,11-dihydro-5H-benzo[a]carbazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;9-(2-nitrophenyl)phenanthrene;phenylhydrazine;trihydrochloride

21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;7H-benzo[c]carbazole;8-bromo-11H-benzo[a]carbazole;8-bromo-6,11-dihydro-5H-benzo[a]carbazole;9-bromophenanthrene;(4-bromophenyl)hydrazine;6,7-dihydro-5H-benzo[c]carbazole;3,4-dihydro-1H-naphthalen-2-one;3,4-dihydro-2H-naphthalen-1-one;3-methyl-11H-benzo[a]carbazole;3-methyl-6,11-dihydro-5H-benzo[a]carbazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;9-(2-nitrophenyl)phenanthrene;phenylhydrazine;trihydrochloride (PubChem CID 162201756) has the molecular formula C201H167Br4Cl3N14O5 and a molecular weight of 3284.61 g/mol. Its IUPAC name is 21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;7H-benzo[c]carbazole;8-bromo-11H-benzo[a]carbazole;8-bromo-6,11-dihydro-5H-benzo[a]carbazole;9-bromophenanthrene;(4-bromophenyl)hydrazine;6,7-dihydro-5H-benzo[c]carbazole;3,4-dihydro-1H-naphthalen-2-one;3,4-dihydro-2H-naphthalen-1-one;3-methyl-11H-benzo[a]carbazole;3-methyl-6,11-dihydro-5H-benzo[a]carbazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;9-(2-nitrophenyl)phenanthrene;phenylhydrazine;trihydrochloride.

Molecular Properties

Compound Name21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;7H-benzo[c]carbazole;8-bromo-11H-benzo[a]carbazole;8-bromo-6,11-dihydro-5H-benzo[a]carbazole;9-bromophenanthrene;(4-bromophenyl)hydrazine;6,7-dihydro-5H-benzo[c]carbazole;3,4-dihydro-1H-naphthalen-2-one;3,4-dihydro-2H-naphthalen-1-one;3-methyl-11H-benzo[a]carbazole;3-methyl-6,11-dihydro-5H-benzo[a]carbazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;9-(2-nitrophenyl)phenanthrene;phenylhydrazine;trihydrochloride
PubChem CID162201756
Molecular FormulaC201H167Br4Cl3N14O5
Molecular Weight3284.61 g/mol
Exact Mass3276.90
IUPAC Name21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;7H-benzo[c]carbazole;8-bromo-11H-benzo[a]carbazole;8-bromo-6,11-dihydro-5H-benzo[a]carbazole;9-bromophenanthrene;(4-bromophenyl)hydrazine;6,7-dihydro-5H-benzo[c]carbazole;3,4-dihydro-1H-naphthalen-2-one;3,4-dihydro-2H-naphthalen-1-one;3-methyl-11H-benzo[a]carbazole;3-methyl-6,11-dihydro-5H-benzo[a]carbazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;9-(2-nitrophenyl)phenanthrene;phenylhydrazine;trihydrochloride
SMILESBrc1cc2ccccc2c2ccccc12.Brc1ccc2[nH]c3c(c2c1)CCc1ccccc1-3.Brc1ccc2[nH]c3c4ccccc4ccc3c2c1.Cc1ccc2c(c1)CCCC2=O.Cc1ccc2c(c1)CCc1c-2[nH]c2ccccc12.Cc1ccc2c(ccc3c4ccccc4[nH]c23)c1.Cl.Cl.Cl.NNc1ccc(Br)cc1.NNc1ccccc1.NNc1ccccc1.O=C1CCCc2ccccc21.O=C1CCc2ccccc2C1.O=[N+]([O-])c1ccccc1-c1cc2ccccc2c2ccccc12.c1ccc2c(c1)CCc1[nH]c3ccccc3c1-2.c1ccc2c(c1)[nH]c1c3ccccc3c3ccccc3c21.c1ccc2c(c1)ccc1[nH]c3ccccc3c12
InChIInChI=1S/C20H13NO2.C20H13N.C17H15N.C17H13N.C16H12BrN.C16H10BrN.C16H13N.C16H11N.C14H9Br.C11H12O.2C10H10O.C6H7BrN2.2C6H8N2.3ClH/c22-21(23)20-12-6-5-11-18(20)19-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)19;1-3-9-15-13(7-1)14-8-2-4-10-16(14)20-19(15)17-11-5-6-12-18(17)21-20;2*1-11-6-8-13-12(10-11)7-9-15-14-4-2-3-5-16(14)18-17(13)15;2*17-11-6-8-15-14(9-11)13-7-5-10-3-1-2-4-12(10)16(13)18-15;2*1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15;15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14;1-8-5-6-10-9(7-8)3-2-4-11(10)12;11-10-7-3-5-8-4-1-2-6-9(8)10;11-10-6-5-8-3-1-2-4-9(8)7-10;7-5-1-3-6(9-8)4-2-5;2*7-8-6-4-2-1-3-5-6;;;/h1-13H;1-12,21H;2-6,8,10,18H,7,9H2,1H3;2-10,18H,1H3;1-4,6,8-9,18H,5,7H2;1-9,18H;1-8,17H,9-10H2;1-10,17H;1-9H;5-7H,2-4H2,1H3;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-4,9H,8H2;2*1-5,8H,7H2;3*1H
InChIKeyPKYOCKCYFDZVEF-UHFFFAOYSA-N
XLogP54.72
TPSA319.03 Ų
H-Bond Donors13
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003284.61
LogP ≤ 554.72
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;7H-benzo[c]carbazole;8-bromo-11H-benzo[a]carbazole;8-bromo-6,11-dihydro-5H-benzo[a]carbazole;9-bromophenanthrene;(4-bromophenyl)hydrazine;6,7-dihydro-5H-benzo[c]carbazole;3,4-dihydro-1H-naphthalen-2-one;3,4-dihydro-2H-naphthalen-1-one;3-methyl-11H-benzo[a]carbazole;3-methyl-6,11-dihydro-5H-benzo[a]carbazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;9-(2-nitrophenyl)phenanthrene;phenylhydrazine;trihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;7H-benzo[c]carbazole;8-bromo-11H-benzo[a]carbazole;8-bromo-6,11-dihydro-5H-benzo[a]carbazole;9-bromophenanthrene;(4-bromophenyl)hydrazine;6,7-dihydro-5H-benzo[c]carbazole;3,4-dihydro-1H-naphthalen-2-one;3,4-dihydro-2H-naphthalen-1-one;3-methyl-11H-benzo[a]carbazole;3-methyl-6,11-dihydro-5H-benzo[a]carbazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;9-(2-nitrophenyl)phenanthrene;phenylhydrazine;trihydrochloride?
The IUPAC name of 21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;7H-benzo[c]carbazole;8-bromo-11H-benzo[a]carbazole;8-bromo-6,11-dihydro-5H-benzo[a]carbazole;9-bromophenanthrene;(4-bromophenyl)hydrazine;6,7-dihydro-5H-benzo[c]carbazole;3,4-dihydro-1H-naphthalen-2-one;3,4-dihydro-2H-naphthalen-1-one;3-methyl-11H-benzo[a]carbazole;3-methyl-6,11-dihydro-5H-benzo[a]carbazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;9-(2-nitrophenyl)phenanthrene;phenylhydrazine;trihydrochloride (CID 162201756) is 21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;7H-benzo[c]carbazole;8-bromo-11H-benzo[a]carbazole;8-bromo-6,11-dihydro-5H-benzo[a]carbazole;9-bromophenanthrene;(4-bromophenyl)hydrazine;6,7-dihydro-5H-benzo[c]carbazole;3,4-dihydro-1H-naphthalen-2-one;3,4-dihydro-2H-naphthalen-1-one;3-methyl-11H-benzo[a]carbazole;3-methyl-6,11-dihydro-5H-benzo[a]carbazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;9-(2-nitrophenyl)phenanthrene;phenylhydrazine;trihydrochloride.
What is the SMILES notation for 21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;7H-benzo[c]carbazole;8-bromo-11H-benzo[a]carbazole;8-bromo-6,11-dihydro-5H-benzo[a]carbazole;9-bromophenanthrene;(4-bromophenyl)hydrazine;6,7-dihydro-5H-benzo[c]carbazole;3,4-dihydro-1H-naphthalen-2-one;3,4-dihydro-2H-naphthalen-1-one;3-methyl-11H-benzo[a]carbazole;3-methyl-6,11-dihydro-5H-benzo[a]carbazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;9-(2-nitrophenyl)phenanthrene;phenylhydrazine;trihydrochloride?
The canonical SMILES for 21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;7H-benzo[c]carbazole;8-bromo-11H-benzo[a]carbazole;8-bromo-6,11-dihydro-5H-benzo[a]carbazole;9-bromophenanthrene;(4-bromophenyl)hydrazine;6,7-dihydro-5H-benzo[c]carbazole;3,4-dihydro-1H-naphthalen-2-one;3,4-dihydro-2H-naphthalen-1-one;3-methyl-11H-benzo[a]carbazole;3-methyl-6,11-dihydro-5H-benzo[a]carbazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;9-(2-nitrophenyl)phenanthrene;phenylhydrazine;trihydrochloride is Brc1cc2ccccc2c2ccccc12.Brc1ccc2[nH]c3c(c2c1)CCc1ccccc1-3.Brc1ccc2[nH]c3c4ccccc4ccc3c2c1.Cc1ccc2c(c1)CCCC2=O.Cc1ccc2c(c1)CCc1c-2[nH]c2ccccc12.Cc1ccc2c(ccc3c4ccccc4[nH]c23)c1.Cl.Cl.Cl.NNc1ccc(Br)cc1.NNc1ccccc1.NNc1ccccc1.O=C1CCCc2ccccc21.O=C1CCc2ccccc2C1.O=[N+]([O-])c1ccccc1-c1cc2ccccc2c2ccccc12.c1ccc2c(c1)CCc1[nH]c3ccccc3c1-2.c1ccc2c(c1)[nH]c1c3ccccc3c3ccccc3c21.c1ccc2c(c1)ccc1[nH]c3ccccc3c12.
What is the InChIKey of 21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;7H-benzo[c]carbazole;8-bromo-11H-benzo[a]carbazole;8-bromo-6,11-dihydro-5H-benzo[a]carbazole;9-bromophenanthrene;(4-bromophenyl)hydrazine;6,7-dihydro-5H-benzo[c]carbazole;3,4-dihydro-1H-naphthalen-2-one;3,4-dihydro-2H-naphthalen-1-one;3-methyl-11H-benzo[a]carbazole;3-methyl-6,11-dihydro-5H-benzo[a]carbazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;9-(2-nitrophenyl)phenanthrene;phenylhydrazine;trihydrochloride?
The InChIKey is PKYOCKCYFDZVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2.C20H13N.C17H15N.C17H13N.C16H12BrN.C16H10BrN.C16H13N.C16H11N.C14H9Br.C11H12O.2C10H10O.C6H7BrN2.2C6H8N2.3ClH/c22-21(23)20-12-6-5-11-18(20)19-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)19;1-3-9-15-13(7-1)14-8-2-4-10-16(14)20-19(15)17-11-5-6-12-18(17)21-20;2*1-11-6-8-13-12(10-11)7-9-15-14-4-2-3-5-16(14)18-17(13)15;2*17-11-6-8-15-14(9-11)13-7-5-10-3-1-2-4-12(10)16(13)18-15;2*1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15;15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14;1-8-5-6-10-9(7-8)3-2-4-11(10)12;11-10-7-3-5-8-4-1-2-6-9(8)10;11-10-6-5-8-3-1-2-4-9(8)7-10;7-5-1-3-6(9-8)4-2-5;2*7-8-6-4-2-1-3-5-6;;;/h1-13H;1-12,21H;2-6,8,10,18H,7,9H2,1H3;2-10,18H,1H3;1-4,6,8-9,18H,5,7H2;1-9,18H;1-8,17H,9-10H2;1-10,17H;1-9H;5-7H,2-4H2,1H3;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-4,9H,8H2;2*1-5,8H,7H2;3*1H.
What are the key properties of 21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;7H-benzo[c]carbazole;8-bromo-11H-benzo[a]carbazole;8-bromo-6,11-dihydro-5H-benzo[a]carbazole;9-bromophenanthrene;(4-bromophenyl)hydrazine;6,7-dihydro-5H-benzo[c]carbazole;3,4-dihydro-1H-naphthalen-2-one;3,4-dihydro-2H-naphthalen-1-one;3-methyl-11H-benzo[a]carbazole;3-methyl-6,11-dihydro-5H-benzo[a]carbazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;9-(2-nitrophenyl)phenanthrene;phenylhydrazine;trihydrochloride?
21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;7H-benzo[c]carbazole;8-bromo-11H-benzo[a]carbazole;8-bromo-6,11-dihydro-5H-benzo[a]carbazole;9-bromophenanthrene;(4-bromophenyl)hydrazine;6,7-dihydro-5H-benzo[c]carbazole;3,4-dihydro-1H-naphthalen-2-one;3,4-dihydro-2H-naphthalen-1-one;3-methyl-11H-benzo[a]carbazole;3-methyl-6,11-dihydro-5H-benzo[a]carbazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;9-(2-nitrophenyl)phenanthrene;phenylhydrazine;trihydrochloride has a molecular weight of 3284.61 g/mol, XLogP of 54.72, 5 rotatable bonds, 13 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;7H-benzo[c]carbazole;8-bromo-11H-benzo[a]carbazole;8-bromo-6,11-dihydro-5H-benzo[a]carbazole;9-bromophenanthrene;(4-bromophenyl)hydrazine;6,7-dihydro-5H-benzo[c]carbazole;3,4-dihydro-1H-naphthalen-2-one;3,4-dihydro-2H-naphthalen-1-one;3-methyl-11H-benzo[a]carbazole;3-methyl-6,11-dihydro-5H-benzo[a]carbazole;6-methyl-3,4-dihydro-2H-naphthalen-1-one;9-(2-nitrophenyl)phenanthrene;phenylhydrazine;trihydrochloride is sourced from PubChem (CID 162201756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).