10-bromo-7,7-diphenylbenzo[a]phenalene

C29H19Br — CID 118532999

IUPAC10-bromo-7,7-diphenylbenzo[a]phenalene
SMILESBrc1ccc2c(c1)-c1cccc3cccc(c13)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H19Br/c30-23-17-18-26-25(19-23)24-15-7-9-20-10-8-16-27(28(20)24)29(26,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-19H
InChIKeyIIECGEWJDNALNB-UHFFFAOYSA-N
MW447.38 g/mol
LogP7.97
Rot. Bonds2

About 10-bromo-7,7-diphenylbenzo[a]phenalene

10-bromo-7,7-diphenylbenzo[a]phenalene (PubChem CID 118532999) has the molecular formula C29H19Br and a molecular weight of 447.38 g/mol. Its IUPAC name is 10-bromo-7,7-diphenylbenzo[a]phenalene.

Molecular Properties

Compound Name10-bromo-7,7-diphenylbenzo[a]phenalene
PubChem CID118532999
Molecular FormulaC29H19Br
Molecular Weight447.38 g/mol
Exact Mass446.07
IUPAC Name10-bromo-7,7-diphenylbenzo[a]phenalene
SMILESBrc1ccc2c(c1)-c1cccc3cccc(c13)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H19Br/c30-23-17-18-26-25(19-23)24-15-7-9-20-10-8-16-27(28(20)24)29(26,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-19H
InChIKeyIIECGEWJDNALNB-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.38
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-(3-bromophenyl)-7-phenylbenzo[a]phenalene
CID 134352385
2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
CID 142567718
4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline
CID 18790937
3-(7,7-diphenylbenzo[a]phenalen-10-yl)benzo[a]anthracene
CID 171046282
3'-bromospiro[benzo[a]phenalene-7,9'-fluorene];(10-phenylanthracen-9-yl)boronic acid;3'-(10-phenylanthracen-9-yl)spiro[benzo[a]phenalene-7,9'-fluorene]
CID 160996451
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
3-bromo-6-(7,7-diphenylbenzo[c]fluoren-2-yl)dibenzofuran
CID 155318563
9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol
CID 176723096
spiro[benzo[a]phenalene-7,9'-fluorene]-10-ylboronic acid
CID 140780247
2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]
CID 129087141

Frequently Asked Questions

What is the IUPAC name of 10-bromo-7,7-diphenylbenzo[a]phenalene?
The IUPAC name of 10-bromo-7,7-diphenylbenzo[a]phenalene (CID 118532999) is 10-bromo-7,7-diphenylbenzo[a]phenalene.
What is the SMILES notation for 10-bromo-7,7-diphenylbenzo[a]phenalene?
The canonical SMILES for 10-bromo-7,7-diphenylbenzo[a]phenalene is Brc1ccc2c(c1)-c1cccc3cccc(c13)C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 10-bromo-7,7-diphenylbenzo[a]phenalene?
The InChIKey is IIECGEWJDNALNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19Br/c30-23-17-18-26-25(19-23)24-15-7-9-20-10-8-16-27(28(20)24)29(26,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-19H.
What are the key properties of 10-bromo-7,7-diphenylbenzo[a]phenalene?
10-bromo-7,7-diphenylbenzo[a]phenalene has a molecular weight of 447.38 g/mol, XLogP of 7.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-7,7-diphenylbenzo[a]phenalene is sourced from PubChem (CID 118532999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).