aniline;bromomethane;1-(3-bromophenyl)-2-phenylbenzimidazole;1-(4-bromophenyl)-2-phenylbenzimidazole;9H-fluorene;1-fluoro-2-nitrobenzene;2-nitro-N-phenylaniline;2-N-phenylbenzene-1,2-diamine;9-[3-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole

C152H120Br5FN16O4 — CID 160704696

IUPACaniline;bromomethane;1-(3-bromophenyl)-2-phenylbenzimidazole;1-(4-bromophenyl)-2-phenylbenzimidazole;9H-fluorene;1-fluoro-2-nitrobenzene;2-nitro-N-phenylaniline;2-N-phenylbenzene-1,2-diamine;9-[3-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
SMILESBrc1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1.Brc1cccc(-n2c(-c3ccccc3)nc3ccccc32)c1.CBr.CBr.CBr.Nc1ccccc1.Nc1ccccc1Nc1ccccc1.O=[N+]([O-])c1ccccc1F.O=[N+]([O-])c1ccccc1Nc1ccccc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(-c2nc3ccccc3n2-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/2C31H21N3.2C19H13BrN2.C13H10.C12H10N2O2.C12H12N2.C6H4FNO2.C6H7N.3CH3Br/c1-2-11-22(12-3-1)31-32-27-17-6-9-20-30(27)34(31)24-14-10-13-23(21-24)33-28-18-7-4-15-25(28)26-16-5-8-19-29(26)33;1-2-10-22(11-3-1)31-32-27-14-6-9-17-30(27)34(31)24-20-18-23(19-21-24)33-28-15-7-4-12-25(28)26-13-5-8-16-29(26)33;20-15-9-6-10-16(13-15)22-18-12-5-4-11-17(18)21-19(22)14-7-2-1-3-8-14;20-15-10-12-16(13-11-15)22-18-9-5-4-8-17(18)21-19(22)14-6-2-1-3-7-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10;13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;7-5-3-1-2-4-6(5)8(9)10;7-6-4-2-1-3-5-6;3*1-2/h2*1-21H;2*1-13H;1-8H,9H2;1-9,13H;1-9,14H,13H2;1-4H;1-5H,7H2;3*1H3
InChIKeyRRBMDPDIKZBRLK-UHFFFAOYSA-N
MW2653.26 g/mol
LogP42.13
Rot. Bonds16

About aniline;bromomethane;1-(3-bromophenyl)-2-phenylbenzimidazole;1-(4-bromophenyl)-2-phenylbenzimidazole;9H-fluorene;1-fluoro-2-nitrobenzene;2-nitro-N-phenylaniline;2-N-phenylbenzene-1,2-diamine;9-[3-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole

aniline;bromomethane;1-(3-bromophenyl)-2-phenylbenzimidazole;1-(4-bromophenyl)-2-phenylbenzimidazole;9H-fluorene;1-fluoro-2-nitrobenzene;2-nitro-N-phenylaniline;2-N-phenylbenzene-1,2-diamine;9-[3-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole (PubChem CID 160704696) has the molecular formula C152H120Br5FN16O4 and a molecular weight of 2653.26 g/mol. Its IUPAC name is aniline;bromomethane;1-(3-bromophenyl)-2-phenylbenzimidazole;1-(4-bromophenyl)-2-phenylbenzimidazole;9H-fluorene;1-fluoro-2-nitrobenzene;2-nitro-N-phenylaniline;2-N-phenylbenzene-1,2-diamine;9-[3-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole.

Molecular Properties

Compound Nameaniline;bromomethane;1-(3-bromophenyl)-2-phenylbenzimidazole;1-(4-bromophenyl)-2-phenylbenzimidazole;9H-fluorene;1-fluoro-2-nitrobenzene;2-nitro-N-phenylaniline;2-N-phenylbenzene-1,2-diamine;9-[3-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
PubChem CID160704696
Molecular FormulaC152H120Br5FN16O4
Molecular Weight2653.26 g/mol
Exact Mass2646.56
IUPAC Nameaniline;bromomethane;1-(3-bromophenyl)-2-phenylbenzimidazole;1-(4-bromophenyl)-2-phenylbenzimidazole;9H-fluorene;1-fluoro-2-nitrobenzene;2-nitro-N-phenylaniline;2-N-phenylbenzene-1,2-diamine;9-[3-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
SMILESBrc1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1.Brc1cccc(-n2c(-c3ccccc3)nc3ccccc32)c1.CBr.CBr.CBr.Nc1ccccc1.Nc1ccccc1Nc1ccccc1.O=[N+]([O-])c1ccccc1F.O=[N+]([O-])c1ccccc1Nc1ccccc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(-c2nc3ccccc3n2-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/2C31H21N3.2C19H13BrN2.C13H10.C12H10N2O2.C12H12N2.C6H4FNO2.C6H7N.3CH3Br/c1-2-11-22(12-3-1)31-32-27-17-6-9-20-30(27)34(31)24-14-10-13-23(21-24)33-28-18-7-4-15-25(28)26-16-5-8-19-29(26)33;1-2-10-22(11-3-1)31-32-27-14-6-9-17-30(27)34(31)24-20-18-23(19-21-24)33-28-15-7-4-12-25(28)26-13-5-8-16-29(26)33;20-15-9-6-10-16(13-15)22-18-12-5-4-11-17(18)21-19(22)14-7-2-1-3-8-14;20-15-10-12-16(13-11-15)22-18-9-5-4-8-17(18)21-19(22)14-6-2-1-3-7-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10;13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;7-5-3-1-2-4-6(5)8(9)10;7-6-4-2-1-3-5-6;3*1-2/h2*1-21H;2*1-13H;1-8H,9H2;1-9,13H;1-9,14H,13H2;1-4H;1-5H,7H2;3*1H3
InChIKeyRRBMDPDIKZBRLK-UHFFFAOYSA-N
XLogP42.13
TPSA243.52 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002653.26
LogP ≤ 542.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze aniline;bromomethane;1-(3-bromophenyl)-2-phenylbenzimidazole;1-(4-bromophenyl)-2-phenylbenzimidazole;9H-fluorene;1-fluoro-2-nitrobenzene;2-nitro-N-phenylaniline;2-N-phenylbenzene-1,2-diamine;9-[3-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of aniline;bromomethane;1-(3-bromophenyl)-2-phenylbenzimidazole;1-(4-bromophenyl)-2-phenylbenzimidazole;9H-fluorene;1-fluoro-2-nitrobenzene;2-nitro-N-phenylaniline;2-N-phenylbenzene-1,2-diamine;9-[3-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole?
The IUPAC name of aniline;bromomethane;1-(3-bromophenyl)-2-phenylbenzimidazole;1-(4-bromophenyl)-2-phenylbenzimidazole;9H-fluorene;1-fluoro-2-nitrobenzene;2-nitro-N-phenylaniline;2-N-phenylbenzene-1,2-diamine;9-[3-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole (CID 160704696) is aniline;bromomethane;1-(3-bromophenyl)-2-phenylbenzimidazole;1-(4-bromophenyl)-2-phenylbenzimidazole;9H-fluorene;1-fluoro-2-nitrobenzene;2-nitro-N-phenylaniline;2-N-phenylbenzene-1,2-diamine;9-[3-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole.
What is the SMILES notation for aniline;bromomethane;1-(3-bromophenyl)-2-phenylbenzimidazole;1-(4-bromophenyl)-2-phenylbenzimidazole;9H-fluorene;1-fluoro-2-nitrobenzene;2-nitro-N-phenylaniline;2-N-phenylbenzene-1,2-diamine;9-[3-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole?
The canonical SMILES for aniline;bromomethane;1-(3-bromophenyl)-2-phenylbenzimidazole;1-(4-bromophenyl)-2-phenylbenzimidazole;9H-fluorene;1-fluoro-2-nitrobenzene;2-nitro-N-phenylaniline;2-N-phenylbenzene-1,2-diamine;9-[3-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole is Brc1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1.Brc1cccc(-n2c(-c3ccccc3)nc3ccccc32)c1.CBr.CBr.CBr.Nc1ccccc1.Nc1ccccc1Nc1ccccc1.O=[N+]([O-])c1ccccc1F.O=[N+]([O-])c1ccccc1Nc1ccccc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(-c2nc3ccccc3n2-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of aniline;bromomethane;1-(3-bromophenyl)-2-phenylbenzimidazole;1-(4-bromophenyl)-2-phenylbenzimidazole;9H-fluorene;1-fluoro-2-nitrobenzene;2-nitro-N-phenylaniline;2-N-phenylbenzene-1,2-diamine;9-[3-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole?
The InChIKey is RRBMDPDIKZBRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H21N3.2C19H13BrN2.C13H10.C12H10N2O2.C12H12N2.C6H4FNO2.C6H7N.3CH3Br/c1-2-11-22(12-3-1)31-32-27-17-6-9-20-30(27)34(31)24-14-10-13-23(21-24)33-28-18-7-4-15-25(28)26-16-5-8-19-29(26)33;1-2-10-22(11-3-1)31-32-27-14-6-9-17-30(27)34(31)24-20-18-23(19-21-24)33-28-15-7-4-12-25(28)26-13-5-8-16-29(26)33;20-15-9-6-10-16(13-15)22-18-12-5-4-11-17(18)21-19(22)14-7-2-1-3-8-14;20-15-10-12-16(13-11-15)22-18-9-5-4-8-17(18)21-19(22)14-6-2-1-3-7-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10;13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;7-5-3-1-2-4-6(5)8(9)10;7-6-4-2-1-3-5-6;3*1-2/h2*1-21H;2*1-13H;1-8H,9H2;1-9,13H;1-9,14H,13H2;1-4H;1-5H,7H2;3*1H3.
What are the key properties of aniline;bromomethane;1-(3-bromophenyl)-2-phenylbenzimidazole;1-(4-bromophenyl)-2-phenylbenzimidazole;9H-fluorene;1-fluoro-2-nitrobenzene;2-nitro-N-phenylaniline;2-N-phenylbenzene-1,2-diamine;9-[3-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole?
aniline;bromomethane;1-(3-bromophenyl)-2-phenylbenzimidazole;1-(4-bromophenyl)-2-phenylbenzimidazole;9H-fluorene;1-fluoro-2-nitrobenzene;2-nitro-N-phenylaniline;2-N-phenylbenzene-1,2-diamine;9-[3-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole has a molecular weight of 2653.26 g/mol, XLogP of 42.13, 16 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;bromomethane;1-(3-bromophenyl)-2-phenylbenzimidazole;1-(4-bromophenyl)-2-phenylbenzimidazole;9H-fluorene;1-fluoro-2-nitrobenzene;2-nitro-N-phenylaniline;2-N-phenylbenzene-1,2-diamine;9-[3-(2-phenylbenzimidazol-1-yl)phenyl]carbazole;9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole is sourced from PubChem (CID 160704696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).