4-[2,7-dibromo-9-(4-octoxyphenyl)fluoren-9-yl]benzaldehyde

C34H32Br2O2 — CID 102308472

IUPAC4-[2,7-dibromo-9-(4-octoxyphenyl)fluoren-9-yl]benzaldehyde
SMILESCCCCCCCCOc1ccc(C2(c3ccc(C=O)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C34H32Br2O2/c1-2-3-4-5-6-7-20-38-29-16-12-26(13-17-29)34(25-10-8-24(23-37)9-11-25)32-21-27(35)14-18-30(32)31-19-15-28(36)22-33(31)34/h8-19,21-23H,2-7,20H2,1H3
InChIKeyWRYHJUNLOZCAAF-UHFFFAOYSA-N
MW632.44 g/mol
LogP10.13
Rot. Bonds11

About 4-[2,7-dibromo-9-(4-octoxyphenyl)fluoren-9-yl]benzaldehyde

4-[2,7-dibromo-9-(4-octoxyphenyl)fluoren-9-yl]benzaldehyde (PubChem CID 102308472) has the molecular formula C34H32Br2O2 and a molecular weight of 632.44 g/mol. Its IUPAC name is 4-[2,7-dibromo-9-(4-octoxyphenyl)fluoren-9-yl]benzaldehyde.

Molecular Properties

Compound Name4-[2,7-dibromo-9-(4-octoxyphenyl)fluoren-9-yl]benzaldehyde
PubChem CID102308472
Molecular FormulaC34H32Br2O2
Molecular Weight632.44 g/mol
Exact Mass630.08
IUPAC Name4-[2,7-dibromo-9-(4-octoxyphenyl)fluoren-9-yl]benzaldehyde
SMILESCCCCCCCCOc1ccc(C2(c3ccc(C=O)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C34H32Br2O2/c1-2-3-4-5-6-7-20-38-29-16-12-26(13-17-29)34(25-10-8-24(23-37)9-11-25)32-21-27(35)14-18-30(32)31-19-15-28(36)22-33(31)34/h8-19,21-23H,2-7,20H2,1H3
InChIKeyWRYHJUNLOZCAAF-UHFFFAOYSA-N
XLogP10.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.44
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-icosoxybenzaldehyde
CID 23127488
4-[6-(4-bromophenoxy)hexoxy]benzaldehyde
CID 155015621
4-(4-decoxyphenoxy)benzaldehyde
CID 22713263
ethanol;4-octadecoxybenzaldehyde
CID 158692714
9,9-bis(4-hexoxyphenyl)-2,7-dimethylfluorene;1,4-dihexyl-2,5-dimethylbenzene
CID 161408851
3,8-dibromo-6-(4-methylphenyl)-6-(4-octoxyphenyl)benzo[c]chromene
CID 59561084
4-[6-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyhexoxy]benzaldehyde
CID 102190987
4-(7-bromo-9,9-dioctylfluoren-2-yl)benzaldehyde
CID 169223631
3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 11094483
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
9-ethyl-3-[2-[7-[2-(9-ethylcarbazol-3-yl)ethenyl]-9,9-bis(4-octoxyphenyl)fluoren-2-yl]ethenyl]carbazole
CID 90708601

Frequently Asked Questions

What is the IUPAC name of 4-[2,7-dibromo-9-(4-octoxyphenyl)fluoren-9-yl]benzaldehyde?
The IUPAC name of 4-[2,7-dibromo-9-(4-octoxyphenyl)fluoren-9-yl]benzaldehyde (CID 102308472) is 4-[2,7-dibromo-9-(4-octoxyphenyl)fluoren-9-yl]benzaldehyde.
What is the SMILES notation for 4-[2,7-dibromo-9-(4-octoxyphenyl)fluoren-9-yl]benzaldehyde?
The canonical SMILES for 4-[2,7-dibromo-9-(4-octoxyphenyl)fluoren-9-yl]benzaldehyde is CCCCCCCCOc1ccc(C2(c3ccc(C=O)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.
What is the InChIKey of 4-[2,7-dibromo-9-(4-octoxyphenyl)fluoren-9-yl]benzaldehyde?
The InChIKey is WRYHJUNLOZCAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32Br2O2/c1-2-3-4-5-6-7-20-38-29-16-12-26(13-17-29)34(25-10-8-24(23-37)9-11-25)32-21-27(35)14-18-30(32)31-19-15-28(36)22-33(31)34/h8-19,21-23H,2-7,20H2,1H3.
What are the key properties of 4-[2,7-dibromo-9-(4-octoxyphenyl)fluoren-9-yl]benzaldehyde?
4-[2,7-dibromo-9-(4-octoxyphenyl)fluoren-9-yl]benzaldehyde has a molecular weight of 632.44 g/mol, XLogP of 10.13, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,7-dibromo-9-(4-octoxyphenyl)fluoren-9-yl]benzaldehyde is sourced from PubChem (CID 102308472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).