6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]

C44H29Br — CID 145144830

IUPAC6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3cccc4cc5c(cc34)-c3ccccc3C53c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C44H29Br/c1-43(2)40-22-27(18-20-33(40)34-21-19-28(45)24-41(34)43)29-14-9-10-26-23-42-36(25-35(26)29)32-13-5-8-17-39(32)44(42)37-15-6-3-11-30(37)31-12-4-7-16-38(31)44/h3-25H,1-2H3
InChIKeyKTBKHPQRHZCERU-UHFFFAOYSA-N
MW637.62 g/mol
LogP11.92
Rot. Bonds1

About 6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]

6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene] (PubChem CID 145144830) has the molecular formula C44H29Br and a molecular weight of 637.62 g/mol. Its IUPAC name is 6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene].

Molecular Properties

Compound Name6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]
PubChem CID145144830
Molecular FormulaC44H29Br
Molecular Weight637.62 g/mol
Exact Mass636.15
IUPAC Name6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3cccc4cc5c(cc34)-c3ccccc3C53c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C44H29Br/c1-43(2)40-22-27(18-20-33(40)34-21-19-28(45)24-41(34)43)29-14-9-10-26-23-42-36(25-35(26)29)32-13-5-8-17-39(32)44(42)37-15-6-3-11-30(37)31-12-4-7-16-38(31)44/h3-25H,1-2H3
InChIKeyKTBKHPQRHZCERU-UHFFFAOYSA-N
XLogP11.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.62
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene] with MolForge

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Related Compounds

2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820
3-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144872
2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597
2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene
CID 86722507
2-naphthalen-1-ylspiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 140873354
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]-9,9'-spirobi[fluorene]
CID 140724755
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
9-[7-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]phenanthrene
CID 58569626
7-bromo-10,10-dimethyl-14,21-dinaphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 87380668
2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene
CID 66667960
2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene
CID 118245876

Frequently Asked Questions

What is the IUPAC name of 6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]?
The IUPAC name of 6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene] (CID 145144830) is 6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene].
What is the SMILES notation for 6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]?
The canonical SMILES for 6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene] is CC1(C)c2cc(Br)ccc2-c2ccc(-c3cccc4cc5c(cc34)-c3ccccc3C53c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of 6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]?
The InChIKey is KTBKHPQRHZCERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29Br/c1-43(2)40-22-27(18-20-33(40)34-21-19-28(45)24-41(34)43)29-14-9-10-26-23-42-36(25-35(26)29)32-13-5-8-17-39(32)44(42)37-15-6-3-11-30(37)31-12-4-7-16-38(31)44/h3-25H,1-2H3.
What are the key properties of 6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]?
6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene] has a molecular weight of 637.62 g/mol, XLogP of 11.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene] is sourced from PubChem (CID 145144830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).