4-(7-bromo-9,9-dimethylfluoren-2-yl)-2-phenylquinazoline

C29H21BrN2 — CID 129208486

IUPAC4-(7-bromo-9,9-dimethylfluoren-2-yl)-2-phenylquinazoline
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3nc(-c4ccccc4)nc4ccccc34)cc21
InChIInChI=1S/C29H21BrN2/c1-29(2)24-16-19(12-14-21(24)22-15-13-20(30)17-25(22)29)27-23-10-6-7-11-26(23)31-28(32-27)18-8-4-3-5-9-18/h3-17H,1-2H3
InChIKeyJXFAKFUEYSVTFW-UHFFFAOYSA-N
MW477.41 g/mol
LogP8.03
Rot. Bonds2

About 4-(7-bromo-9,9-dimethylfluoren-2-yl)-2-phenylquinazoline

4-(7-bromo-9,9-dimethylfluoren-2-yl)-2-phenylquinazoline (PubChem CID 129208486) has the molecular formula C29H21BrN2 and a molecular weight of 477.41 g/mol. Its IUPAC name is 4-(7-bromo-9,9-dimethylfluoren-2-yl)-2-phenylquinazoline.

Molecular Properties

Compound Name4-(7-bromo-9,9-dimethylfluoren-2-yl)-2-phenylquinazoline
PubChem CID129208486
Molecular FormulaC29H21BrN2
Molecular Weight477.41 g/mol
Exact Mass476.09
IUPAC Name4-(7-bromo-9,9-dimethylfluoren-2-yl)-2-phenylquinazoline
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3nc(-c4ccccc4)nc4ccccc34)cc21
InChIInChI=1S/C29H21BrN2/c1-29(2)24-16-19(12-14-21(24)22-15-13-20(30)17-25(22)29)27-23-10-6-7-11-26(23)31-28(32-27)18-8-4-3-5-9-18/h3-17H,1-2H3
InChIKeyJXFAKFUEYSVTFW-UHFFFAOYSA-N
XLogP8.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.41
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-(4-bromophenyl)-4-phenylquinazoline
CID 158631648
4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline
CID 163917077
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline
CID 167612820
2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4-phenylquinazoline
CID 118472845
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline
CID 167177421
9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylquinazolin-2-yl)phenyl]fluorene-2-carbonitrile
CID 171421810
2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene
CID 86722507
4-(11H-benzo[b]fluoren-2-yl)-2-(9,9-dimethylfluoren-2-yl)quinazoline
CID 154589148
4-(9,9-dimethylfluoren-2-yl)quinazolin-2-amine
CID 146421035
2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene
CID 171571856
2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 157292922

Frequently Asked Questions

What is the IUPAC name of 4-(7-bromo-9,9-dimethylfluoren-2-yl)-2-phenylquinazoline?
The IUPAC name of 4-(7-bromo-9,9-dimethylfluoren-2-yl)-2-phenylquinazoline (CID 129208486) is 4-(7-bromo-9,9-dimethylfluoren-2-yl)-2-phenylquinazoline.
What is the SMILES notation for 4-(7-bromo-9,9-dimethylfluoren-2-yl)-2-phenylquinazoline?
The canonical SMILES for 4-(7-bromo-9,9-dimethylfluoren-2-yl)-2-phenylquinazoline is CC1(C)c2cc(Br)ccc2-c2ccc(-c3nc(-c4ccccc4)nc4ccccc34)cc21.
What is the InChIKey of 4-(7-bromo-9,9-dimethylfluoren-2-yl)-2-phenylquinazoline?
The InChIKey is JXFAKFUEYSVTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21BrN2/c1-29(2)24-16-19(12-14-21(24)22-15-13-20(30)17-25(22)29)27-23-10-6-7-11-26(23)31-28(32-27)18-8-4-3-5-9-18/h3-17H,1-2H3.
What are the key properties of 4-(7-bromo-9,9-dimethylfluoren-2-yl)-2-phenylquinazoline?
4-(7-bromo-9,9-dimethylfluoren-2-yl)-2-phenylquinazoline has a molecular weight of 477.41 g/mol, XLogP of 8.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromo-9,9-dimethylfluoren-2-yl)-2-phenylquinazoline is sourced from PubChem (CID 129208486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).