2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-bromo-4-(2,3,4,5,6-pentadeuteriophenyl)quinazoline;2-(4-bromophenyl)-4-phenylquinazoline;bis(2-bromo-4-phenylpyrido[2,3-d]pyrimidine)

C89H59Br5N12 — CID 157285178

IUPAC2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-bromo-4-(2,3,4,5,6-pentadeuteriophenyl)quinazoline;2-(4-bromophenyl)-4-phenylquinazoline;bis(2-bromo-4-phenylpyrido[2,3-d]pyrimidine)
SMILESBrc1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1.Brc1nc(-c2ccccc2)c2cccnc2n1.Brc1nc(-c2ccccc2)c2cccnc2n1.CC1(C)c2cc(Br)ccc2-c2ccc(-c3nc(-c4ccccc4)c4ccccc4n3)cc21.[2H]c1c([2H])c([2H])c(-c2nc(Br)nc3ccccc23)c([2H])c1[2H]
InChIInChI=1S/C29H21BrN2.C20H13BrN2.C14H9BrN2.2C13H8BrN3/c1-29(2)24-16-19(12-14-21(24)22-15-13-20(30)17-25(22)29)28-31-26-11-7-6-10-23(26)27(32-28)18-8-4-3-5-9-18;21-16-12-10-15(11-13-16)20-22-18-9-5-4-8-17(18)19(23-20)14-6-2-1-3-7-14;15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10;2*14-13-16-11(9-5-2-1-3-6-9)10-7-4-8-15-12(10)17-13/h3-17H,1-2H3;1-13H;1-9H;2*1-8H/i;;1D,2D,3D,6D,7D;;
InChIKeyBADJREVFYVGGDX-ZIBOVVDTSA-N
MW1701.09 g/mol
LogP24.73
Rot. Bonds7

About 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-bromo-4-(2,3,4,5,6-pentadeuteriophenyl)quinazoline;2-(4-bromophenyl)-4-phenylquinazoline;bis(2-bromo-4-phenylpyrido[2,3-d]pyrimidine)

2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-bromo-4-(2,3,4,5,6-pentadeuteriophenyl)quinazoline;2-(4-bromophenyl)-4-phenylquinazoline;bis(2-bromo-4-phenylpyrido[2,3-d]pyrimidine) (PubChem CID 157285178) has the molecular formula C89H59Br5N12 and a molecular weight of 1701.09 g/mol. Its IUPAC name is 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-bromo-4-(2,3,4,5,6-pentadeuteriophenyl)quinazoline;2-(4-bromophenyl)-4-phenylquinazoline;bis(2-bromo-4-phenylpyrido[2,3-d]pyrimidine).

Molecular Properties

Compound Name2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-bromo-4-(2,3,4,5,6-pentadeuteriophenyl)quinazoline;2-(4-bromophenyl)-4-phenylquinazoline;bis(2-bromo-4-phenylpyrido[2,3-d]pyrimidine)
PubChem CID157285178
Molecular FormulaC89H59Br5N12
Molecular Weight1701.09 g/mol
Exact Mass1695.12
IUPAC Name2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-bromo-4-(2,3,4,5,6-pentadeuteriophenyl)quinazoline;2-(4-bromophenyl)-4-phenylquinazoline;bis(2-bromo-4-phenylpyrido[2,3-d]pyrimidine)
SMILESBrc1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1.Brc1nc(-c2ccccc2)c2cccnc2n1.Brc1nc(-c2ccccc2)c2cccnc2n1.CC1(C)c2cc(Br)ccc2-c2ccc(-c3nc(-c4ccccc4)c4ccccc4n3)cc21.[2H]c1c([2H])c([2H])c(-c2nc(Br)nc3ccccc23)c([2H])c1[2H]
InChIInChI=1S/C29H21BrN2.C20H13BrN2.C14H9BrN2.2C13H8BrN3/c1-29(2)24-16-19(12-14-21(24)22-15-13-20(30)17-25(22)29)28-31-26-11-7-6-10-23(26)27(32-28)18-8-4-3-5-9-18;21-16-12-10-15(11-13-16)20-22-18-9-5-4-8-17(18)19(23-20)14-6-2-1-3-7-14;15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10;2*14-13-16-11(9-5-2-1-3-6-9)10-7-4-8-15-12(10)17-13/h3-17H,1-2H3;1-13H;1-9H;2*1-8H/i;;1D,2D,3D,6D,7D;;
InChIKeyBADJREVFYVGGDX-ZIBOVVDTSA-N
XLogP24.73
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001701.09
LogP ≤ 524.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-bromo-4-(2,3,4,5,6-pentadeuteriophenyl)quinazoline;2-(4-bromophenyl)-4-phenylquinazoline;bis(2-bromo-4-phenylpyrido[2,3-d]pyrimidine) with MolForge

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Related Compounds

N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-7-phenylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-phenyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyrimidin-5-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine
CID 161164722
2-[4-[9-[4-(1,10-Phenanthrolin-2-yl)phenyl]-2,7-di(pyrimidin-5-yl)fluoren-9-yl]phenyl]-1,10-phenanthroline
CID 57574226
2-[3-[9-[3-(1,10-Phenanthrolin-2-yl)phenyl]-2,7-di(pyrimidin-5-yl)fluoren-9-yl]phenyl]-1,10-phenanthroline
CID 57574315
2-[2,3,4,5,6-Penta(quinazolin-2-yl)phenyl]quinazoline
CID 57615290
2,4-Bis(4-tert-butylphenyl)-6-[6-[3-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium
CID 58280811
3-(1,3,5-Triazin-2-yl)-2-[5-[3-(1,3,5-triazin-2-yl)benzo[h][1,6]naphthyridin-2-yl]-12-heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]benzo[h][1,6]naphthyridine
CID 58479695
2-[3-[7-[4-[4-[9,9-Dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-2,6-dimethylphenyl]-3,5-dimethylphenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline
CID 58880911
2-[3-[7-[4-[9,9-Dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline
CID 58880987
2-[3-[7-[4-[4-[9,9-Dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline
CID 58881028
2-[3-[7-[9,9-Dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline
CID 58881145
8-[2-[7-[6-[5-[9,9-Dimethyl-7-(4-quinolin-8-ylpyrimidin-2-yl)fluoren-2-yl]-2-pyridinyl]-3-pyridinyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]quinoline
CID 58881220
2-[3-[7-[7-[9,9-Dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline
CID 58881226

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-bromo-4-(2,3,4,5,6-pentadeuteriophenyl)quinazoline;2-(4-bromophenyl)-4-phenylquinazoline;bis(2-bromo-4-phenylpyrido[2,3-d]pyrimidine)?
The IUPAC name of 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-bromo-4-(2,3,4,5,6-pentadeuteriophenyl)quinazoline;2-(4-bromophenyl)-4-phenylquinazoline;bis(2-bromo-4-phenylpyrido[2,3-d]pyrimidine) (CID 157285178) is 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-bromo-4-(2,3,4,5,6-pentadeuteriophenyl)quinazoline;2-(4-bromophenyl)-4-phenylquinazoline;bis(2-bromo-4-phenylpyrido[2,3-d]pyrimidine).
What is the SMILES notation for 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-bromo-4-(2,3,4,5,6-pentadeuteriophenyl)quinazoline;2-(4-bromophenyl)-4-phenylquinazoline;bis(2-bromo-4-phenylpyrido[2,3-d]pyrimidine)?
The canonical SMILES for 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-bromo-4-(2,3,4,5,6-pentadeuteriophenyl)quinazoline;2-(4-bromophenyl)-4-phenylquinazoline;bis(2-bromo-4-phenylpyrido[2,3-d]pyrimidine) is Brc1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1.Brc1nc(-c2ccccc2)c2cccnc2n1.Brc1nc(-c2ccccc2)c2cccnc2n1.CC1(C)c2cc(Br)ccc2-c2ccc(-c3nc(-c4ccccc4)c4ccccc4n3)cc21.[2H]c1c([2H])c([2H])c(-c2nc(Br)nc3ccccc23)c([2H])c1[2H].
What is the InChIKey of 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-bromo-4-(2,3,4,5,6-pentadeuteriophenyl)quinazoline;2-(4-bromophenyl)-4-phenylquinazoline;bis(2-bromo-4-phenylpyrido[2,3-d]pyrimidine)?
The InChIKey is BADJREVFYVGGDX-ZIBOVVDTSA-N. The full InChI is InChI=1S/C29H21BrN2.C20H13BrN2.C14H9BrN2.2C13H8BrN3/c1-29(2)24-16-19(12-14-21(24)22-15-13-20(30)17-25(22)29)28-31-26-11-7-6-10-23(26)27(32-28)18-8-4-3-5-9-18;21-16-12-10-15(11-13-16)20-22-18-9-5-4-8-17(18)19(23-20)14-6-2-1-3-7-14;15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10;2*14-13-16-11(9-5-2-1-3-6-9)10-7-4-8-15-12(10)17-13/h3-17H,1-2H3;1-13H;1-9H;2*1-8H/i;;1D,2D,3D,6D,7D;;.
What are the key properties of 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-bromo-4-(2,3,4,5,6-pentadeuteriophenyl)quinazoline;2-(4-bromophenyl)-4-phenylquinazoline;bis(2-bromo-4-phenylpyrido[2,3-d]pyrimidine)?
2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-bromo-4-(2,3,4,5,6-pentadeuteriophenyl)quinazoline;2-(4-bromophenyl)-4-phenylquinazoline;bis(2-bromo-4-phenylpyrido[2,3-d]pyrimidine) has a molecular weight of 1701.09 g/mol, XLogP of 24.73, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-bromo-4-(2,3,4,5,6-pentadeuteriophenyl)quinazoline;2-(4-bromophenyl)-4-phenylquinazoline;bis(2-bromo-4-phenylpyrido[2,3-d]pyrimidine) is sourced from PubChem (CID 157285178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).