11-(2-bromophenyl)-6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine

C29H22BrN — CID 134873179

IUPAC11-(2-bromophenyl)-6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine
SMILESBrc1ccccc1C1C2C=CC=CC2=C(c2ccccc2)C2=Nc3ccccc3CC21
InChIInChI=1S/C29H22BrN/c30-25-16-8-7-15-23(25)28-22-14-6-5-13-21(22)27(19-10-2-1-3-11-19)29-24(28)18-20-12-4-9-17-26(20)31-29/h1-17,22,24,28H,18H2
InChIKeyNBKSLBDYCNCQCF-UHFFFAOYSA-N
MW464.41 g/mol
LogP7.69
Rot. Bonds2

About 11-(2-bromophenyl)-6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine

11-(2-bromophenyl)-6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine (PubChem CID 134873179) has the molecular formula C29H22BrN and a molecular weight of 464.41 g/mol. Its IUPAC name is 11-(2-bromophenyl)-6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine.

Molecular Properties

Compound Name11-(2-bromophenyl)-6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine
PubChem CID134873179
Molecular FormulaC29H22BrN
Molecular Weight464.41 g/mol
Exact Mass463.09
IUPAC Name11-(2-bromophenyl)-6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine
SMILESBrc1ccccc1C1C2C=CC=CC2=C(c2ccccc2)C2=Nc3ccccc3CC21
InChIInChI=1S/C29H22BrN/c30-25-16-8-7-15-23(25)28-22-14-6-5-13-21(22)27(19-10-2-1-3-11-19)29-24(28)18-20-12-4-9-17-26(20)31-29/h1-17,22,24,28H,18H2
InChIKeyNBKSLBDYCNCQCF-UHFFFAOYSA-N
XLogP7.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.41
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-(2-bromophenyl)-6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine?
The IUPAC name of 11-(2-bromophenyl)-6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine (CID 134873179) is 11-(2-bromophenyl)-6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine.
What is the SMILES notation for 11-(2-bromophenyl)-6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine?
The canonical SMILES for 11-(2-bromophenyl)-6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine is Brc1ccccc1C1C2C=CC=CC2=C(c2ccccc2)C2=Nc3ccccc3CC21.
What is the InChIKey of 11-(2-bromophenyl)-6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine?
The InChIKey is NBKSLBDYCNCQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22BrN/c30-25-16-8-7-15-23(25)28-22-14-6-5-13-21(22)27(19-10-2-1-3-11-19)29-24(28)18-20-12-4-9-17-26(20)31-29/h1-17,22,24,28H,18H2.
What are the key properties of 11-(2-bromophenyl)-6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine?
11-(2-bromophenyl)-6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine has a molecular weight of 464.41 g/mol, XLogP of 7.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-bromophenyl)-6-phenyl-10a,11,11a,12-tetrahydrobenzo[b]acridine is sourced from PubChem (CID 134873179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).