5-bromo-9',9'-dimethylspiro[4a,9a-dihydrofluorene-9,10'-anthracene]

C28H23Br — CID 142480766

IUPAC5-bromo-9',9'-dimethylspiro[4a,9a-dihydrofluorene-9,10'-anthracene]
SMILESCC1(C)c2ccccc2C2(c3ccccc31)c1cccc(Br)c1C1C=CC=CC12
InChIInChI=1S/C28H23Br/c1-27(2)20-12-5-7-14-22(20)28(23-15-8-6-13-21(23)27)19-11-4-3-10-18(19)26-24(28)16-9-17-25(26)29/h3-19H,1-2H3
InChIKeyRRAPBPZIBARSHJ-UHFFFAOYSA-N
MW439.40 g/mol
LogP7.26
Rot. Bonds

About 5-bromo-9',9'-dimethylspiro[4a,9a-dihydrofluorene-9,10'-anthracene]

5-bromo-9',9'-dimethylspiro[4a,9a-dihydrofluorene-9,10'-anthracene] (PubChem CID 142480766) has the molecular formula C28H23Br and a molecular weight of 439.40 g/mol. Its IUPAC name is 5-bromo-9',9'-dimethylspiro[4a,9a-dihydrofluorene-9,10'-anthracene].

Molecular Properties

Compound Name5-bromo-9',9'-dimethylspiro[4a,9a-dihydrofluorene-9,10'-anthracene]
PubChem CID142480766
Molecular FormulaC28H23Br
Molecular Weight439.40 g/mol
Exact Mass438.10
IUPAC Name5-bromo-9',9'-dimethylspiro[4a,9a-dihydrofluorene-9,10'-anthracene]
SMILESCC1(C)c2ccccc2C2(c3ccccc31)c1cccc(Br)c1C1C=CC=CC12
InChIInChI=1S/C28H23Br/c1-27(2)20-12-5-7-14-22(20)28(23-15-8-6-13-21(23)27)19-11-4-3-10-18(19)26-24(28)16-9-17-25(26)29/h3-19H,1-2H3
InChIKeyRRAPBPZIBARSHJ-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.40
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 142504685
4',5-dibromo-1',8-dimethoxyspiro[4a,9a-dihydrofluorene-9,9'-fluorene]
CID 67717159
2,4-diphenyl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-4-yl-1,3,5-triazine
CID 153159558
2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 174292900
spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene]
CID 135233943
1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142567703
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-3-amine
CID 174252364
3,3,10,10,16,16,23,23-octamethyl-12,25-dioxahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2(11),4,6,8,15(24),18,20-octaene-13,26-dione
CID 2755579
N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine
CID 146413961
[2'-(2-methylbenzoyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl]-(2-methylphenyl)methanone
CID 146649580
ethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane
CID 158720104
1-bromo-2-(1-methylcyclohexyl)benzene
CID 131090981

Frequently Asked Questions

What is the IUPAC name of 5-bromo-9',9'-dimethylspiro[4a,9a-dihydrofluorene-9,10'-anthracene]?
The IUPAC name of 5-bromo-9',9'-dimethylspiro[4a,9a-dihydrofluorene-9,10'-anthracene] (CID 142480766) is 5-bromo-9',9'-dimethylspiro[4a,9a-dihydrofluorene-9,10'-anthracene].
What is the SMILES notation for 5-bromo-9',9'-dimethylspiro[4a,9a-dihydrofluorene-9,10'-anthracene]?
The canonical SMILES for 5-bromo-9',9'-dimethylspiro[4a,9a-dihydrofluorene-9,10'-anthracene] is CC1(C)c2ccccc2C2(c3ccccc31)c1cccc(Br)c1C1C=CC=CC12.
What is the InChIKey of 5-bromo-9',9'-dimethylspiro[4a,9a-dihydrofluorene-9,10'-anthracene]?
The InChIKey is RRAPBPZIBARSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Br/c1-27(2)20-12-5-7-14-22(20)28(23-15-8-6-13-21(23)27)19-11-4-3-10-18(19)26-24(28)16-9-17-25(26)29/h3-19H,1-2H3.
What are the key properties of 5-bromo-9',9'-dimethylspiro[4a,9a-dihydrofluorene-9,10'-anthracene]?
5-bromo-9',9'-dimethylspiro[4a,9a-dihydrofluorene-9,10'-anthracene] has a molecular weight of 439.40 g/mol, XLogP of 7.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-9',9'-dimethylspiro[4a,9a-dihydrofluorene-9,10'-anthracene] is sourced from PubChem (CID 142480766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).