3-bromo-6-chloro-9,9-dinaphthalen-2-ylfluorene

C33H20BrCl — CID 167225007

IUPAC3-bromo-6-chloro-9,9-dinaphthalen-2-ylfluorene
SMILESClc1ccc2c(c1)-c1cc(Br)ccc1C2(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C33H20BrCl/c34-27-13-15-31-29(19-27)30-20-28(35)14-16-32(30)33(31,25-11-9-21-5-1-3-7-23(21)17-25)26-12-10-22-6-2-4-8-24(22)18-26/h1-20H
InChIKeyRNIGLHMDMMTVII-UHFFFAOYSA-N
MW531.88 g/mol
LogP9.77
Rot. Bonds2

About 3-bromo-6-chloro-9,9-dinaphthalen-2-ylfluorene

3-bromo-6-chloro-9,9-dinaphthalen-2-ylfluorene (PubChem CID 167225007) has the molecular formula C33H20BrCl and a molecular weight of 531.88 g/mol. Its IUPAC name is 3-bromo-6-chloro-9,9-dinaphthalen-2-ylfluorene.

Molecular Properties

Compound Name3-bromo-6-chloro-9,9-dinaphthalen-2-ylfluorene
PubChem CID167225007
Molecular FormulaC33H20BrCl
Molecular Weight531.88 g/mol
Exact Mass530.04
IUPAC Name3-bromo-6-chloro-9,9-dinaphthalen-2-ylfluorene
SMILESClc1ccc2c(c1)-c1cc(Br)ccc1C2(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C33H20BrCl/c34-27-13-15-31-29(19-27)30-20-28(35)14-16-32(30)33(31,25-11-9-21-5-1-3-7-23(21)17-25)26-12-10-22-6-2-4-8-24(22)18-26/h1-20H
InChIKeyRNIGLHMDMMTVII-UHFFFAOYSA-N
XLogP9.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.88
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(9-anthracen-2-ylfluoren-9-yl)anthracene
CID 162705610
3-bromo-6-chloro-9,9-difluorofluorene
CID 134271927
9-[3-(3-chlorophenyl)phenyl]-9-naphthalen-2-ylfluorene
CID 169292933
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol
CID 153407946
9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene
CID 176760002
4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline
CID 18790937
10-bromo-7,7-diphenylbenzo[a]phenalene
CID 118532999
2-bromonaphthalene
CID 50940586
2-chloronaphthalene;naphthalene
CID 159169098
3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
2-bromo-6-chloroanthracene
CID 22728523
3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]
CID 148559935

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-9,9-dinaphthalen-2-ylfluorene?
The IUPAC name of 3-bromo-6-chloro-9,9-dinaphthalen-2-ylfluorene (CID 167225007) is 3-bromo-6-chloro-9,9-dinaphthalen-2-ylfluorene.
What is the SMILES notation for 3-bromo-6-chloro-9,9-dinaphthalen-2-ylfluorene?
The canonical SMILES for 3-bromo-6-chloro-9,9-dinaphthalen-2-ylfluorene is Clc1ccc2c(c1)-c1cc(Br)ccc1C2(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 3-bromo-6-chloro-9,9-dinaphthalen-2-ylfluorene?
The InChIKey is RNIGLHMDMMTVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20BrCl/c34-27-13-15-31-29(19-27)30-20-28(35)14-16-32(30)33(31,25-11-9-21-5-1-3-7-23(21)17-25)26-12-10-22-6-2-4-8-24(22)18-26/h1-20H.
What are the key properties of 3-bromo-6-chloro-9,9-dinaphthalen-2-ylfluorene?
3-bromo-6-chloro-9,9-dinaphthalen-2-ylfluorene has a molecular weight of 531.88 g/mol, XLogP of 9.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-9,9-dinaphthalen-2-ylfluorene is sourced from PubChem (CID 167225007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).