2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine

C39H28BrN — CID 171571853

IUPAC2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine
SMILESCC1(C)c2cc(Br)ccc2N(c2ccccc2)c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc21
InChIInChI=1S/C39H28BrN/c1-39(2)35-23-26(17-20-37(35)41(28-10-4-3-5-11-28)38-21-18-27(40)24-36(38)39)25-16-19-33-31-14-7-6-12-29(31)30-13-8-9-15-32(30)34(33)22-25/h3-24H,1-2H3
InChIKeyYBVNMPTZDLTEFZ-UHFFFAOYSA-N
MW590.56 g/mol
LogP11.68
Rot. Bonds2

About 2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine

2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine (PubChem CID 171571853) has the molecular formula C39H28BrN and a molecular weight of 590.56 g/mol. Its IUPAC name is 2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine.

Molecular Properties

Compound Name2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine
PubChem CID171571853
Molecular FormulaC39H28BrN
Molecular Weight590.56 g/mol
Exact Mass589.14
IUPAC Name2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine
SMILESCC1(C)c2cc(Br)ccc2N(c2ccccc2)c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc21
InChIInChI=1S/C39H28BrN/c1-39(2)35-23-26(17-20-37(35)41(28-10-4-3-5-11-28)38-21-18-27(40)24-36(38)39)25-16-19-33-31-14-7-6-12-29(31)30-13-8-9-15-32(30)34(33)22-25/h3-24H,1-2H3
InChIKeyYBVNMPTZDLTEFZ-UHFFFAOYSA-N
XLogP11.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.56
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene
CID 171571856
2-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 172991970
5-(9,9-dimethyl-10-phenylacridin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67326458
2,7-dibromo-9,9-dimethyl-10H-acridine;2,7-dibromo-9,9-dimethyl-10-phenylacridine;iodobenzene
CID 162173008
4-(9,9-dimethyl-7-phenanthren-3-yl-10-phenylacridin-2-yl)-N,N-diphenylaniline
CID 118122536
2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine
CID 89024085
14-phenyl-10-triphenylen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 121400635
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine
CID 71003882
2-(10-dibenzofuran-2-yl-9,9-dimethylacridin-2-yl)-9,9-dimethyl-10-phenylacridine
CID 70936026
10-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-dibromo-9,9-dimethylacridine
CID 171063686
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine?
The IUPAC name of 2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine (CID 171571853) is 2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine.
What is the SMILES notation for 2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine?
The canonical SMILES for 2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine is CC1(C)c2cc(Br)ccc2N(c2ccccc2)c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc21.
What is the InChIKey of 2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine?
The InChIKey is YBVNMPTZDLTEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28BrN/c1-39(2)35-23-26(17-20-37(35)41(28-10-4-3-5-11-28)38-21-18-27(40)24-36(38)39)25-16-19-33-31-14-7-6-12-29(31)30-13-8-9-15-32(30)34(33)22-25/h3-24H,1-2H3.
What are the key properties of 2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine?
2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine has a molecular weight of 590.56 g/mol, XLogP of 11.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine is sourced from PubChem (CID 171571853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).