10-bromo-N-(10-bromophenanthren-9-yl)-N-(2,6-dichlorophenyl)phenanthren-9-amine

C34H19Br2Cl2N — CID 156523735

IUPAC10-bromo-N-(10-bromophenanthren-9-yl)-N-(2,6-dichlorophenyl)phenanthren-9-amine
SMILESClc1cccc(Cl)c1N(c1c(Br)c2ccccc2c2ccccc12)c1c(Br)c2ccccc2c2ccccc12
InChIInChI=1S/C34H19Br2Cl2N/c35-30-24-14-5-1-10-20(24)22-12-3-7-16-26(22)32(30)39(34-28(37)18-9-19-29(34)38)33-27-17-8-4-13-23(27)21-11-2-6-15-25(21)31(33)36/h1-19H
InChIKeyATDJMOSXKCECCM-UHFFFAOYSA-N
MW672.25 g/mol
LogP12.60
Rot. Bonds3

About 10-bromo-N-(10-bromophenanthren-9-yl)-N-(2,6-dichlorophenyl)phenanthren-9-amine

10-bromo-N-(10-bromophenanthren-9-yl)-N-(2,6-dichlorophenyl)phenanthren-9-amine (PubChem CID 156523735) has the molecular formula C34H19Br2Cl2N and a molecular weight of 672.25 g/mol. Its IUPAC name is 10-bromo-N-(10-bromophenanthren-9-yl)-N-(2,6-dichlorophenyl)phenanthren-9-amine.

Molecular Properties

Compound Name10-bromo-N-(10-bromophenanthren-9-yl)-N-(2,6-dichlorophenyl)phenanthren-9-amine
PubChem CID156523735
Molecular FormulaC34H19Br2Cl2N
Molecular Weight672.25 g/mol
Exact Mass668.93
IUPAC Name10-bromo-N-(10-bromophenanthren-9-yl)-N-(2,6-dichlorophenyl)phenanthren-9-amine
SMILESClc1cccc(Cl)c1N(c1c(Br)c2ccccc2c2ccccc12)c1c(Br)c2ccccc2c2ccccc12
InChIInChI=1S/C34H19Br2Cl2N/c35-30-24-14-5-1-10-20(24)22-12-3-7-16-26(22)32(30)39(34-28(37)18-9-19-29(34)38)33-27-17-8-4-13-23(27)21-11-2-6-15-25(21)31(33)36/h1-19H
InChIKeyATDJMOSXKCECCM-UHFFFAOYSA-N
XLogP12.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.25
LogP ≤ 512.60
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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Frequently Asked Questions

What is the IUPAC name of 10-bromo-N-(10-bromophenanthren-9-yl)-N-(2,6-dichlorophenyl)phenanthren-9-amine?
The IUPAC name of 10-bromo-N-(10-bromophenanthren-9-yl)-N-(2,6-dichlorophenyl)phenanthren-9-amine (CID 156523735) is 10-bromo-N-(10-bromophenanthren-9-yl)-N-(2,6-dichlorophenyl)phenanthren-9-amine.
What is the SMILES notation for 10-bromo-N-(10-bromophenanthren-9-yl)-N-(2,6-dichlorophenyl)phenanthren-9-amine?
The canonical SMILES for 10-bromo-N-(10-bromophenanthren-9-yl)-N-(2,6-dichlorophenyl)phenanthren-9-amine is Clc1cccc(Cl)c1N(c1c(Br)c2ccccc2c2ccccc12)c1c(Br)c2ccccc2c2ccccc12.
What is the InChIKey of 10-bromo-N-(10-bromophenanthren-9-yl)-N-(2,6-dichlorophenyl)phenanthren-9-amine?
The InChIKey is ATDJMOSXKCECCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19Br2Cl2N/c35-30-24-14-5-1-10-20(24)22-12-3-7-16-26(22)32(30)39(34-28(37)18-9-19-29(34)38)33-27-17-8-4-13-23(27)21-11-2-6-15-25(21)31(33)36/h1-19H.
What are the key properties of 10-bromo-N-(10-bromophenanthren-9-yl)-N-(2,6-dichlorophenyl)phenanthren-9-amine?
10-bromo-N-(10-bromophenanthren-9-yl)-N-(2,6-dichlorophenyl)phenanthren-9-amine has a molecular weight of 672.25 g/mol, XLogP of 12.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-N-(10-bromophenanthren-9-yl)-N-(2,6-dichlorophenyl)phenanthren-9-amine is sourced from PubChem (CID 156523735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).