2-bromo-9,9-dimethylfluorene;7-bromonaphtho[1,2-g]quinoline;1-bromophenanthren-2-amine;7-(9,9-dimethylfluoren-2-yl)naphtho[1,2-g]quinoline;phenanthren-2-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[1,2-g]quinoline

About 2-bromo-9,9-dimethylfluorene;7-bromonaphtho[1,2-g]quinoline;1-bromophenanthren-2-amine;7-(9,9-dimethylfluoren-2-yl)naphtho[1,2-g]quinoline;phenanthren-2-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[1,2-g]quinoline

2-bromo-9,9-dimethylfluorene;7-bromonaphtho[1,2-g]quinoline;1-bromophenanthren-2-amine;7-(9,9-dimethylfluoren-2-yl)naphtho[1,2-g]quinoline;phenanthren-2-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[1,2-g]quinoline (PubChem CID 162234946) has the molecular formula C115H89BBr3N5O2 and a molecular weight of 1823.53 g/mol. Its IUPAC name is 2-bromo-9,9-dimethylfluorene;7-bromonaphtho[1,2-g]quinoline;1-bromophenanthren-2-amine;7-(9,9-dimethylfluoren-2-yl)naphtho[1,2-g]quinoline;phenanthren-2-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[1,2-g]quinoline.

Molecular Properties

Compound Name	2-bromo-9,9-dimethylfluorene;7-bromonaphtho[1,2-g]quinoline;1-bromophenanthren-2-amine;7-(9,9-dimethylfluoren-2-yl)naphtho[1,2-g]quinoline;phenanthren-2-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[1,2-g]quinoline
PubChem CID	162234946
Molecular Formula	C115H89BBr3N5O2
Molecular Weight	1823.53 g/mol
Exact Mass	1819.47
IUPAC Name	2-bromo-9,9-dimethylfluorene;7-bromonaphtho[1,2-g]quinoline;1-bromophenanthren-2-amine;7-(9,9-dimethylfluoren-2-yl)naphtho[1,2-g]quinoline;phenanthren-2-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[1,2-g]quinoline
SMILES	Brc1c2ccc3ccccc3c2cc2cccnc12.CC1(C)OB(c2c3ccc4ccccc4c3cc3cccnc23)OC1(C)C.CC1(C)c2ccccc2-c2ccc(-c3c4ccc5ccccc5c4cc4cccnc34)cc21.CC1(C)c2ccccc2-c2ccc(Br)cc21.Nc1ccc2c(ccc3ccccc32)c1.Nc1ccc2c(ccc3ccccc32)c1Br
InChI	InChI=1S/C32H23N.C23H22BNO2.C17H10BrN.C15H13Br.C14H10BrN.C14H11N/c1-32(2)28-12-6-5-11-24(28)25-15-14-21(19-29(25)32)30-26-16-13-20-8-3-4-10-23(20)27(26)18-22-9-7-17-33-31(22)30;1-22(2)23(3,4)27-24(26-22)20-18-12-11-15-8-5-6-10-17(15)19(18)14-16-9-7-13-25-21(16)20;18-16-14-8-7-11-4-1-2-6-13(11)15(14)10-12-5-3-9-19-17(12)16;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15;15-14-12-6-5-9-3-1-2-4-10(9)11(12)7-8-13(14)16;15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h3-19H,1-2H3;5-14H,1-4H3;1-10H;3-9H,1-2H3;1-8H,16H2;1-9H,15H2
InChIKey	ZVXXOFUGNIZFOA-UHFFFAOYSA-N
XLogP	31.33
TPSA	109.17 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	2
Heavy Atoms	126
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1823.53
LogP ≤ 5	31.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-dimethylfluorene;7-bromonaphtho[1,2-g]quinoline;1-bromophenanthren-2-amine;7-(9,9-dimethylfluoren-2-yl)naphtho[1,2-g]quinoline;phenanthren-2-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[1,2-g]quinoline?

The IUPAC name of 2-bromo-9,9-dimethylfluorene;7-bromonaphtho[1,2-g]quinoline;1-bromophenanthren-2-amine;7-(9,9-dimethylfluoren-2-yl)naphtho[1,2-g]quinoline;phenanthren-2-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[1,2-g]quinoline (CID 162234946) is 2-bromo-9,9-dimethylfluorene;7-bromonaphtho[1,2-g]quinoline;1-bromophenanthren-2-amine;7-(9,9-dimethylfluoren-2-yl)naphtho[1,2-g]quinoline;phenanthren-2-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[1,2-g]quinoline.

What is the SMILES notation for 2-bromo-9,9-dimethylfluorene;7-bromonaphtho[1,2-g]quinoline;1-bromophenanthren-2-amine;7-(9,9-dimethylfluoren-2-yl)naphtho[1,2-g]quinoline;phenanthren-2-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[1,2-g]quinoline?

The canonical SMILES for 2-bromo-9,9-dimethylfluorene;7-bromonaphtho[1,2-g]quinoline;1-bromophenanthren-2-amine;7-(9,9-dimethylfluoren-2-yl)naphtho[1,2-g]quinoline;phenanthren-2-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[1,2-g]quinoline is Brc1c2ccc3ccccc3c2cc2cccnc12.CC1(C)OB(c2c3ccc4ccccc4c3cc3cccnc23)OC1(C)C.CC1(C)c2ccccc2-c2ccc(-c3c4ccc5ccccc5c4cc4cccnc34)cc21.CC1(C)c2ccccc2-c2ccc(Br)cc21.Nc1ccc2c(ccc3ccccc32)c1.Nc1ccc2c(ccc3ccccc32)c1Br.

What is the InChIKey of 2-bromo-9,9-dimethylfluorene;7-bromonaphtho[1,2-g]quinoline;1-bromophenanthren-2-amine;7-(9,9-dimethylfluoren-2-yl)naphtho[1,2-g]quinoline;phenanthren-2-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[1,2-g]quinoline?

The InChIKey is ZVXXOFUGNIZFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N.C23H22BNO2.C17H10BrN.C15H13Br.C14H10BrN.C14H11N/c1-32(2)28-12-6-5-11-24(28)25-15-14-21(19-29(25)32)30-26-16-13-20-8-3-4-10-23(20)27(26)18-22-9-7-17-33-31(22)30;1-22(2)23(3,4)27-24(26-22)20-18-12-11-15-8-5-6-10-17(15)19(18)14-16-9-7-13-25-21(16)20;18-16-14-8-7-11-4-1-2-6-13(11)15(14)10-12-5-3-9-19-17(12)16;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15;15-14-12-6-5-9-3-1-2-4-10(9)11(12)7-8-13(14)16;15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h3-19H,1-2H3;5-14H,1-4H3;1-10H;3-9H,1-2H3;1-8H,16H2;1-9H,15H2.

What are the key properties of 2-bromo-9,9-dimethylfluorene;7-bromonaphtho[1,2-g]quinoline;1-bromophenanthren-2-amine;7-(9,9-dimethylfluoren-2-yl)naphtho[1,2-g]quinoline;phenanthren-2-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[1,2-g]quinoline?

Where does this data come from?

All data for 2-bromo-9,9-dimethylfluorene;7-bromonaphtho[1,2-g]quinoline;1-bromophenanthren-2-amine;7-(9,9-dimethylfluoren-2-yl)naphtho[1,2-g]quinoline;phenanthren-2-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[1,2-g]quinoline is sourced from PubChem (CID 162234946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).