12-bromonaphtho[2,1-f]quinoline;3-bromophenanthren-2-amine;2-bromo-5-pyridin-3-ylpyridine;phenanthren-2-amine;12-(5-pyridin-3-yl-2-pyridinyl)naphtho[2,1-f]quinoline;12-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-f]quinoline

C105H77BBr3N9O2 — CID 159338734

IUPAC12-bromonaphtho[2,1-f]quinoline;3-bromophenanthren-2-amine;2-bromo-5-pyridin-3-ylpyridine;phenanthren-2-amine;12-(5-pyridin-3-yl-2-pyridinyl)naphtho[2,1-f]quinoline;12-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-f]quinoline
SMILESBrc1cc2c3ccccc3ccc2c2cccnc12.Brc1ccc(-c2cccnc2)cn1.CC1(C)OB(c2cc3c4ccccc4ccc3c3cccnc23)OC1(C)C.Nc1cc2ccc3ccccc3c2cc1Br.Nc1ccc2c(ccc3ccccc32)c1.c1cncc(-c2ccc(-c3cc4c5ccccc5ccc4c4cccnc34)nc2)c1
InChIInChI=1S/C27H17N3.C23H22BNO2.C17H10BrN.C14H10BrN.C14H11N.C10H7BrN2/c1-2-7-21-18(5-1)9-11-22-23-8-4-14-29-27(23)25(15-24(21)22)26-12-10-20(17-30-26)19-6-3-13-28-16-19;1-22(2)23(3,4)27-24(26-22)20-14-19-16-9-6-5-8-15(16)11-12-17(19)18-10-7-13-25-21(18)20;18-16-10-15-12-5-2-1-4-11(12)7-8-13(15)14-6-3-9-19-17(14)16;15-13-8-12-10(7-14(13)16)6-5-9-3-1-2-4-11(9)12;15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14;11-10-4-3-9(7-13-10)8-2-1-5-12-6-8/h1-17H;5-14H,1-4H3;1-10H;1-8H,16H2;1-9H,15H2;1-7H
InChIKeyLFWHSFCULYIULW-UHFFFAOYSA-N
MW1747.36 g/mol
LogP27.63
Rot. Bonds4

About 12-bromonaphtho[2,1-f]quinoline;3-bromophenanthren-2-amine;2-bromo-5-pyridin-3-ylpyridine;phenanthren-2-amine;12-(5-pyridin-3-yl-2-pyridinyl)naphtho[2,1-f]quinoline;12-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-f]quinoline

12-bromonaphtho[2,1-f]quinoline;3-bromophenanthren-2-amine;2-bromo-5-pyridin-3-ylpyridine;phenanthren-2-amine;12-(5-pyridin-3-yl-2-pyridinyl)naphtho[2,1-f]quinoline;12-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-f]quinoline (PubChem CID 159338734) has the molecular formula C105H77BBr3N9O2 and a molecular weight of 1747.36 g/mol. Its IUPAC name is 12-bromonaphtho[2,1-f]quinoline;3-bromophenanthren-2-amine;2-bromo-5-pyridin-3-ylpyridine;phenanthren-2-amine;12-(5-pyridin-3-yl-2-pyridinyl)naphtho[2,1-f]quinoline;12-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-f]quinoline.

Molecular Properties

Compound Name12-bromonaphtho[2,1-f]quinoline;3-bromophenanthren-2-amine;2-bromo-5-pyridin-3-ylpyridine;phenanthren-2-amine;12-(5-pyridin-3-yl-2-pyridinyl)naphtho[2,1-f]quinoline;12-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-f]quinoline
PubChem CID159338734
Molecular FormulaC105H77BBr3N9O2
Molecular Weight1747.36 g/mol
Exact Mass1743.38
IUPAC Name12-bromonaphtho[2,1-f]quinoline;3-bromophenanthren-2-amine;2-bromo-5-pyridin-3-ylpyridine;phenanthren-2-amine;12-(5-pyridin-3-yl-2-pyridinyl)naphtho[2,1-f]quinoline;12-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-f]quinoline
SMILESBrc1cc2c3ccccc3ccc2c2cccnc12.Brc1ccc(-c2cccnc2)cn1.CC1(C)OB(c2cc3c4ccccc4ccc3c3cccnc23)OC1(C)C.Nc1cc2ccc3ccccc3c2cc1Br.Nc1ccc2c(ccc3ccccc32)c1.c1cncc(-c2ccc(-c3cc4c5ccccc5ccc4c4cccnc34)nc2)c1
InChIInChI=1S/C27H17N3.C23H22BNO2.C17H10BrN.C14H10BrN.C14H11N.C10H7BrN2/c1-2-7-21-18(5-1)9-11-22-23-8-4-14-29-27(23)25(15-24(21)22)26-12-10-20(17-30-26)19-6-3-13-28-16-19;1-22(2)23(3,4)27-24(26-22)20-14-19-16-9-6-5-8-15(16)11-12-17(19)18-10-7-13-25-21(18)20;18-16-10-15-12-5-2-1-4-11(12)7-8-13(15)14-6-3-9-19-17(14)16;15-13-8-12-10(7-14(13)16)6-5-9-3-1-2-4-11(9)12;15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14;11-10-4-3-9(7-13-10)8-2-1-5-12-6-8/h1-17H;5-14H,1-4H3;1-10H;1-8H,16H2;1-9H,15H2;1-7H
InChIKeyLFWHSFCULYIULW-UHFFFAOYSA-N
XLogP27.63
TPSA160.73 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001747.36
LogP ≤ 527.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 12-bromonaphtho[2,1-f]quinoline;3-bromophenanthren-2-amine;2-bromo-5-pyridin-3-ylpyridine;phenanthren-2-amine;12-(5-pyridin-3-yl-2-pyridinyl)naphtho[2,1-f]quinoline;12-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-f]quinoline with MolForge

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Related Compounds

benzonitrile;2-(3-bromo-5-methylphenyl)-4-phenylpyridine;2-(3-bromo-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-4-phenylpyridine;3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]benzene-6-id-1-amine;3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline;2-phenylaniline;platinum(2+)
CID 157358941
8-[2-[3-(2-Benzo[h][1,6]naphthyridin-8-ylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h][1,6]naphthyridine
CID 141692709
4-Bromo-6-methylisoquinoline;(6-methylisoquinolin-4-yl)boronic acid;6-methyl-4-quinolin-2-ylisoquinoline
CID 157071234
2-Bromo-6-isocyanonaphthalene;22-[4-(6-isocyanonaphthalen-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 157091101
19-Bromo-23,23-dimethyl-6,9-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8(13),9,11,14,16(24),17(22),18,20-dodecaene;19-[3-(9,9-diphenylacridin-10-yl)phenyl]-23,23-dimethyl-6,9-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8(13),9,11,14,16(24),17(22),18,20-dodecaene;9,9-diphenyl-10-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acridine;methane;molecular hydrogen
CID 157128755
N-(4-bromophenyl)-N-pyridin-4-ylpyridin-4-amine;N-(4-pyreno[1,2-b]pyridin-3-ylphenyl)-N-pyridin-4-ylpyridin-4-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyreno[1,2-b]pyridine
CID 157173202
6-bromonaphthalen-2-amine;bis(N,N-dimethyl-6-(1-methylpyridin-1-ium-4-yl)naphthalen-2-amine);methane;pyridin-4-ylboronic acid;6-pyridin-4-ylnaphthalen-2-amine;acetate;iodide
CID 157261639
3-[3-(3-Bromophenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 157435722
CID 157437056
CID 157437056
1-Bromo-4-(4-iodophenyl)benzene;bis(6-[4-(4-bromophenyl)phenyl]benzo[h]quinoline);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline;6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157484270
1-Bromo-4-diphenylphosphorylbenzene;2-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 157565506
3-[3-[3,5-Bis(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine;1,3,5-tribromobenzene
CID 157572283

Frequently Asked Questions

What is the IUPAC name of 12-bromonaphtho[2,1-f]quinoline;3-bromophenanthren-2-amine;2-bromo-5-pyridin-3-ylpyridine;phenanthren-2-amine;12-(5-pyridin-3-yl-2-pyridinyl)naphtho[2,1-f]quinoline;12-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-f]quinoline?
The IUPAC name of 12-bromonaphtho[2,1-f]quinoline;3-bromophenanthren-2-amine;2-bromo-5-pyridin-3-ylpyridine;phenanthren-2-amine;12-(5-pyridin-3-yl-2-pyridinyl)naphtho[2,1-f]quinoline;12-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-f]quinoline (CID 159338734) is 12-bromonaphtho[2,1-f]quinoline;3-bromophenanthren-2-amine;2-bromo-5-pyridin-3-ylpyridine;phenanthren-2-amine;12-(5-pyridin-3-yl-2-pyridinyl)naphtho[2,1-f]quinoline;12-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-f]quinoline.
What is the SMILES notation for 12-bromonaphtho[2,1-f]quinoline;3-bromophenanthren-2-amine;2-bromo-5-pyridin-3-ylpyridine;phenanthren-2-amine;12-(5-pyridin-3-yl-2-pyridinyl)naphtho[2,1-f]quinoline;12-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-f]quinoline?
The canonical SMILES for 12-bromonaphtho[2,1-f]quinoline;3-bromophenanthren-2-amine;2-bromo-5-pyridin-3-ylpyridine;phenanthren-2-amine;12-(5-pyridin-3-yl-2-pyridinyl)naphtho[2,1-f]quinoline;12-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-f]quinoline is Brc1cc2c3ccccc3ccc2c2cccnc12.Brc1ccc(-c2cccnc2)cn1.CC1(C)OB(c2cc3c4ccccc4ccc3c3cccnc23)OC1(C)C.Nc1cc2ccc3ccccc3c2cc1Br.Nc1ccc2c(ccc3ccccc32)c1.c1cncc(-c2ccc(-c3cc4c5ccccc5ccc4c4cccnc34)nc2)c1.
What is the InChIKey of 12-bromonaphtho[2,1-f]quinoline;3-bromophenanthren-2-amine;2-bromo-5-pyridin-3-ylpyridine;phenanthren-2-amine;12-(5-pyridin-3-yl-2-pyridinyl)naphtho[2,1-f]quinoline;12-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-f]quinoline?
The InChIKey is LFWHSFCULYIULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3.C23H22BNO2.C17H10BrN.C14H10BrN.C14H11N.C10H7BrN2/c1-2-7-21-18(5-1)9-11-22-23-8-4-14-29-27(23)25(15-24(21)22)26-12-10-20(17-30-26)19-6-3-13-28-16-19;1-22(2)23(3,4)27-24(26-22)20-14-19-16-9-6-5-8-15(16)11-12-17(19)18-10-7-13-25-21(18)20;18-16-10-15-12-5-2-1-4-11(12)7-8-13(15)14-6-3-9-19-17(14)16;15-13-8-12-10(7-14(13)16)6-5-9-3-1-2-4-11(9)12;15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14;11-10-4-3-9(7-13-10)8-2-1-5-12-6-8/h1-17H;5-14H,1-4H3;1-10H;1-8H,16H2;1-9H,15H2;1-7H.
What are the key properties of 12-bromonaphtho[2,1-f]quinoline;3-bromophenanthren-2-amine;2-bromo-5-pyridin-3-ylpyridine;phenanthren-2-amine;12-(5-pyridin-3-yl-2-pyridinyl)naphtho[2,1-f]quinoline;12-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-f]quinoline?
12-bromonaphtho[2,1-f]quinoline;3-bromophenanthren-2-amine;2-bromo-5-pyridin-3-ylpyridine;phenanthren-2-amine;12-(5-pyridin-3-yl-2-pyridinyl)naphtho[2,1-f]quinoline;12-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-f]quinoline has a molecular weight of 1747.36 g/mol, XLogP of 27.63, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 12-bromonaphtho[2,1-f]quinoline;3-bromophenanthren-2-amine;2-bromo-5-pyridin-3-ylpyridine;phenanthren-2-amine;12-(5-pyridin-3-yl-2-pyridinyl)naphtho[2,1-f]quinoline;12-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,1-f]quinoline is sourced from PubChem (CID 159338734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).