4-[4-(3-bromophenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]

C41H25Br — CID 145144909

IUPAC4-[4-(3-bromophenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]
SMILESBrc1cccc(-c2ccc(-c3cccc4c5c(ccc34)-c3ccccc3C53c4ccccc4-c4ccccc43)cc2)c1
InChIInChI=1S/C41H25Br/c42-29-10-7-9-28(25-29)26-19-21-27(22-20-26)30-14-8-15-35-31(30)23-24-36-34-13-3-6-18-39(34)41(40(35)36)37-16-4-1-11-32(37)33-12-2-5-17-38(33)41/h1-25H
InChIKeyNTHLSYJRXRCTLW-UHFFFAOYSA-N
MW597.56 g/mol
LogP11.28
Rot. Bonds2

About 4-[4-(3-bromophenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]

4-[4-(3-bromophenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene] (PubChem CID 145144909) has the molecular formula C41H25Br and a molecular weight of 597.56 g/mol. Its IUPAC name is 4-[4-(3-bromophenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene].

Molecular Properties

Compound Name4-[4-(3-bromophenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]
PubChem CID145144909
Molecular FormulaC41H25Br
Molecular Weight597.56 g/mol
Exact Mass596.11
IUPAC Name4-[4-(3-bromophenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]
SMILESBrc1cccc(-c2ccc(-c3cccc4c5c(ccc34)-c3ccccc3C53c4ccccc4-c4ccccc43)cc2)c1
InChIInChI=1S/C41H25Br/c42-29-10-7-9-28(25-29)26-19-21-27(22-20-26)30-14-8-15-35-31(30)23-24-36-34-13-3-6-18-39(34)41(40(35)36)37-16-4-1-11-32(37)33-12-2-5-17-38(33)41/h1-25H
InChIKeyNTHLSYJRXRCTLW-UHFFFAOYSA-N
XLogP11.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.56
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 134216060
3-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144872
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034437
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820
3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 90215122
2-[3-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole
CID 90216180
3-bromo-7-(11,11'-spirobi[benzo[a]fluorene]-3'-yl)dibenzothiophene
CID 159086576
2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene]
CID 142725067
17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]
CID 140962092
9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene
CID 87087450

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-bromophenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]?
The IUPAC name of 4-[4-(3-bromophenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene] (CID 145144909) is 4-[4-(3-bromophenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene].
What is the SMILES notation for 4-[4-(3-bromophenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]?
The canonical SMILES for 4-[4-(3-bromophenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene] is Brc1cccc(-c2ccc(-c3cccc4c5c(ccc34)-c3ccccc3C53c4ccccc4-c4ccccc43)cc2)c1.
What is the InChIKey of 4-[4-(3-bromophenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]?
The InChIKey is NTHLSYJRXRCTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25Br/c42-29-10-7-9-28(25-29)26-19-21-27(22-20-26)30-14-8-15-35-31(30)23-24-36-34-13-3-6-18-39(34)41(40(35)36)37-16-4-1-11-32(37)33-12-2-5-17-38(33)41/h1-25H.
What are the key properties of 4-[4-(3-bromophenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]?
4-[4-(3-bromophenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene] has a molecular weight of 597.56 g/mol, XLogP of 11.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-bromophenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene] is sourced from PubChem (CID 145144909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).