3-bromo-9,9-dimethylfluorene;9-bromo-10-nitrophenanthrene;6,6-dimethyl-15-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-1(16),2(14),3,5(13),7,9,11,17,19,21,23,25,27-tridecaene;9-(9,9-dimethylfluoren-3-yl)-10-nitrophenanthrene;2-(9,9-dimethylfluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;triphenylphosphane

C127H107BBr2N3O6P — CID 158470184

IUPAC3-bromo-9,9-dimethylfluorene;9-bromo-10-nitrophenanthrene;6,6-dimethyl-15-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-1(16),2(14),3,5(13),7,9,11,17,19,21,23,25,27-tridecaene;9-(9,9-dimethylfluoren-3-yl)-10-nitrophenanthrene;2-(9,9-dimethylfluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;triphenylphosphane
SMILESC.CC1(C)c2ccccc2-c2c1ccc1c2[nH]c2c3ccccc3c3ccccc3c12.CC1(C)c2ccccc2-c2cc(-c3c([N+](=O)[O-])c4ccccc4c4ccccc34)ccc21.CC1(C)c2ccccc2-c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.CC1(C)c2ccccc2-c2cc(Br)ccc21.O=[N+]([O-])c1c(Br)c2ccccc2c2ccccc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H21NO2.C29H21N.C21H25BO2.C18H15P.C15H13Br.C14H8BrNO2.CH4/c1-29(2)25-14-8-7-11-21(25)24-17-18(15-16-26(24)29)27-22-12-5-3-9-19(22)20-10-4-6-13-23(20)28(27)30(31)32;1-29(2)23-14-8-7-13-21(23)26-24(29)16-15-22-25-19-11-5-3-9-17(19)18-10-4-6-12-20(18)27(25)30-28(22)26;1-19(2)17-10-8-7-9-15(17)16-13-14(11-12-18(16)19)22-23-20(3,4)21(5,6)24-22;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2)13-6-4-3-5-11(13)12-9-10(16)7-8-14(12)15;15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16(17)18;/h3-17H,1-2H3;3-16,30H,1-2H3;7-13H,1-6H3;1-15H;3-9H,1-2H3;1-8H;1H4
InChIKeyHGGHJFHGTDBBTN-UHFFFAOYSA-N
MW1972.86 g/mol
LogP33.60
Rot. Bonds7

About 3-bromo-9,9-dimethylfluorene;9-bromo-10-nitrophenanthrene;6,6-dimethyl-15-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-1(16),2(14),3,5(13),7,9,11,17,19,21,23,25,27-tridecaene;9-(9,9-dimethylfluoren-3-yl)-10-nitrophenanthrene;2-(9,9-dimethylfluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;triphenylphosphane

3-bromo-9,9-dimethylfluorene;9-bromo-10-nitrophenanthrene;6,6-dimethyl-15-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-1(16),2(14),3,5(13),7,9,11,17,19,21,23,25,27-tridecaene;9-(9,9-dimethylfluoren-3-yl)-10-nitrophenanthrene;2-(9,9-dimethylfluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;triphenylphosphane (PubChem CID 158470184) has the molecular formula C127H107BBr2N3O6P and a molecular weight of 1972.86 g/mol. Its IUPAC name is 3-bromo-9,9-dimethylfluorene;9-bromo-10-nitrophenanthrene;6,6-dimethyl-15-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-1(16),2(14),3,5(13),7,9,11,17,19,21,23,25,27-tridecaene;9-(9,9-dimethylfluoren-3-yl)-10-nitrophenanthrene;2-(9,9-dimethylfluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;triphenylphosphane.

Molecular Properties

Compound Name3-bromo-9,9-dimethylfluorene;9-bromo-10-nitrophenanthrene;6,6-dimethyl-15-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-1(16),2(14),3,5(13),7,9,11,17,19,21,23,25,27-tridecaene;9-(9,9-dimethylfluoren-3-yl)-10-nitrophenanthrene;2-(9,9-dimethylfluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;triphenylphosphane
PubChem CID158470184
Molecular FormulaC127H107BBr2N3O6P
Molecular Weight1972.86 g/mol
Exact Mass1969.64
IUPAC Name3-bromo-9,9-dimethylfluorene;9-bromo-10-nitrophenanthrene;6,6-dimethyl-15-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-1(16),2(14),3,5(13),7,9,11,17,19,21,23,25,27-tridecaene;9-(9,9-dimethylfluoren-3-yl)-10-nitrophenanthrene;2-(9,9-dimethylfluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;triphenylphosphane
SMILESC.CC1(C)c2ccccc2-c2c1ccc1c2[nH]c2c3ccccc3c3ccccc3c12.CC1(C)c2ccccc2-c2cc(-c3c([N+](=O)[O-])c4ccccc4c4ccccc34)ccc21.CC1(C)c2ccccc2-c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.CC1(C)c2ccccc2-c2cc(Br)ccc21.O=[N+]([O-])c1c(Br)c2ccccc2c2ccccc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H21NO2.C29H21N.C21H25BO2.C18H15P.C15H13Br.C14H8BrNO2.CH4/c1-29(2)25-14-8-7-11-21(25)24-17-18(15-16-26(24)29)27-22-12-5-3-9-19(22)20-10-4-6-13-23(20)28(27)30(31)32;1-29(2)23-14-8-7-13-21(23)26-24(29)16-15-22-25-19-11-5-3-9-17(19)18-10-4-6-12-20(18)27(25)30-28(22)26;1-19(2)17-10-8-7-9-15(17)16-13-14(11-12-18(16)19)22-23-20(3,4)21(5,6)24-22;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2)13-6-4-3-5-11(13)12-9-10(16)7-8-14(12)15;15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16(17)18;/h3-17H,1-2H3;3-16,30H,1-2H3;7-13H,1-6H3;1-15H;3-9H,1-2H3;1-8H;1H4
InChIKeyHGGHJFHGTDBBTN-UHFFFAOYSA-N
XLogP33.60
TPSA120.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001972.86
LogP ≤ 533.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-bromo-9,9-dimethylfluorene;9-bromo-10-nitrophenanthrene;6,6-dimethyl-15-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-1(16),2(14),3,5(13),7,9,11,17,19,21,23,25,27-tridecaene;9-(9,9-dimethylfluoren-3-yl)-10-nitrophenanthrene;2-(9,9-dimethylfluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;triphenylphosphane with MolForge

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Related Compounds

2-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]triphenylene;2-bromotriphenylene;4,4,5,5-tetramethyl-2-triphenylen-2-yl-1,3,2-dioxaborolane
CID 161045920
2-benzo[g]phenanthren-3-yl-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane;2-(6-bromonaphthalen-2-yl)-9,9-dimethylfluorene;carbanide;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[c]phenanthrene;palladium;tetrakis(triphenylphosphane)
CID 159440748
2-(3',3'-dimethylspiro[fluorene-9,24'-hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene]-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 163832055
ethane;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;5,14,23-tribromo-9,9,18,18,27,27-hexamethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 162017158
2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 153370184
6-bromonaphthalen-2-ol;dichloropalladium;6-(9,9-dimethylfluoren-2-yl)naphthalen-2-ol;2-(9,9-dimethylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9,9-dimethyl-2-(6-methylnaphthalen-2-yl)fluorene;trifluoromethylsulfonyl trifluoromethanesulfonate;bis(triphenylphosphane)
CID 159078706
1-bromo-2-nitrobenzene;17-bromo-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;17-(2-nitrophenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;15-oxa-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene;4,4,5,5-tetramethyl-2-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-1,3,2-dioxaborolane;triphenylphosphane
CID 159889199
N-(4-bromophenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(6-phenyl-9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4,4,5,5-tetramethyl-2-(6-phenyl-9H-fluoren-3-yl)-1,3,2-dioxaborolane
CID 158969860
1-bromo-2-nitrobenzene;8-bromo-11-phenylbenzo[a]carbazole;8-(2-nitrophenyl)-11-phenylbenzo[a]carbazole;12-phenyl-12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;11-phenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole;triphenylphosphane
CID 161108992
acetic acid;N-(4-bromophenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine;methane;palladium
CID 159743489
9-(3-bromo-5-carbazol-9-ylphenyl)carbazole;9-[3-carbazol-9-yl-5-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]carbazole;2-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 157314623
2-[6-(9,9-dimethylfluoren-2-yl)pyren-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 88889202

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9,9-dimethylfluorene;9-bromo-10-nitrophenanthrene;6,6-dimethyl-15-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-1(16),2(14),3,5(13),7,9,11,17,19,21,23,25,27-tridecaene;9-(9,9-dimethylfluoren-3-yl)-10-nitrophenanthrene;2-(9,9-dimethylfluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;triphenylphosphane?
The IUPAC name of 3-bromo-9,9-dimethylfluorene;9-bromo-10-nitrophenanthrene;6,6-dimethyl-15-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-1(16),2(14),3,5(13),7,9,11,17,19,21,23,25,27-tridecaene;9-(9,9-dimethylfluoren-3-yl)-10-nitrophenanthrene;2-(9,9-dimethylfluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;triphenylphosphane (CID 158470184) is 3-bromo-9,9-dimethylfluorene;9-bromo-10-nitrophenanthrene;6,6-dimethyl-15-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-1(16),2(14),3,5(13),7,9,11,17,19,21,23,25,27-tridecaene;9-(9,9-dimethylfluoren-3-yl)-10-nitrophenanthrene;2-(9,9-dimethylfluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;triphenylphosphane.
What is the SMILES notation for 3-bromo-9,9-dimethylfluorene;9-bromo-10-nitrophenanthrene;6,6-dimethyl-15-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-1(16),2(14),3,5(13),7,9,11,17,19,21,23,25,27-tridecaene;9-(9,9-dimethylfluoren-3-yl)-10-nitrophenanthrene;2-(9,9-dimethylfluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;triphenylphosphane?
The canonical SMILES for 3-bromo-9,9-dimethylfluorene;9-bromo-10-nitrophenanthrene;6,6-dimethyl-15-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-1(16),2(14),3,5(13),7,9,11,17,19,21,23,25,27-tridecaene;9-(9,9-dimethylfluoren-3-yl)-10-nitrophenanthrene;2-(9,9-dimethylfluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;triphenylphosphane is C.CC1(C)c2ccccc2-c2c1ccc1c2[nH]c2c3ccccc3c3ccccc3c12.CC1(C)c2ccccc2-c2cc(-c3c([N+](=O)[O-])c4ccccc4c4ccccc34)ccc21.CC1(C)c2ccccc2-c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.CC1(C)c2ccccc2-c2cc(Br)ccc21.O=[N+]([O-])c1c(Br)c2ccccc2c2ccccc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-bromo-9,9-dimethylfluorene;9-bromo-10-nitrophenanthrene;6,6-dimethyl-15-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-1(16),2(14),3,5(13),7,9,11,17,19,21,23,25,27-tridecaene;9-(9,9-dimethylfluoren-3-yl)-10-nitrophenanthrene;2-(9,9-dimethylfluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;triphenylphosphane?
The InChIKey is HGGHJFHGTDBBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21NO2.C29H21N.C21H25BO2.C18H15P.C15H13Br.C14H8BrNO2.CH4/c1-29(2)25-14-8-7-11-21(25)24-17-18(15-16-26(24)29)27-22-12-5-3-9-19(22)20-10-4-6-13-23(20)28(27)30(31)32;1-29(2)23-14-8-7-13-21(23)26-24(29)16-15-22-25-19-11-5-3-9-17(19)18-10-4-6-12-20(18)27(25)30-28(22)26;1-19(2)17-10-8-7-9-15(17)16-13-14(11-12-18(16)19)22-23-20(3,4)21(5,6)24-22;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2)13-6-4-3-5-11(13)12-9-10(16)7-8-14(12)15;15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16(17)18;/h3-17H,1-2H3;3-16,30H,1-2H3;7-13H,1-6H3;1-15H;3-9H,1-2H3;1-8H;1H4.
What are the key properties of 3-bromo-9,9-dimethylfluorene;9-bromo-10-nitrophenanthrene;6,6-dimethyl-15-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-1(16),2(14),3,5(13),7,9,11,17,19,21,23,25,27-tridecaene;9-(9,9-dimethylfluoren-3-yl)-10-nitrophenanthrene;2-(9,9-dimethylfluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;triphenylphosphane?
3-bromo-9,9-dimethylfluorene;9-bromo-10-nitrophenanthrene;6,6-dimethyl-15-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-1(16),2(14),3,5(13),7,9,11,17,19,21,23,25,27-tridecaene;9-(9,9-dimethylfluoren-3-yl)-10-nitrophenanthrene;2-(9,9-dimethylfluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;triphenylphosphane has a molecular weight of 1972.86 g/mol, XLogP of 33.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9,9-dimethylfluorene;9-bromo-10-nitrophenanthrene;6,6-dimethyl-15-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-1(16),2(14),3,5(13),7,9,11,17,19,21,23,25,27-tridecaene;9-(9,9-dimethylfluoren-3-yl)-10-nitrophenanthrene;2-(9,9-dimethylfluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;triphenylphosphane is sourced from PubChem (CID 158470184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).