N-(4-bromophenyl)-4-(2-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(4-phenylnaphthalen-1-yl)aniline;N-(4-bromophenyl)-4-(2-pyren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-pyren-1-ylphenyl)aniline

C160H108Br5N5 — CID 160982054

IUPACN-(4-bromophenyl)-4-(2-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(4-phenylnaphthalen-1-yl)aniline;N-(4-bromophenyl)-4-(2-pyren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-pyren-1-ylphenyl)aniline
SMILESBrc1ccc(Nc2ccc(-c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1.Brc1ccc(Nc2ccc(-c3cccc(-c4ccc5ccc6cccc7ccc4c5c67)c3)cc2)cc1.Brc1ccc(Nc2ccc(-c3cccc(-c4cccc5c4ccc4ccccc45)c3)cc2)cc1.Brc1ccc(Nc2ccc(-c3ccccc3-c3ccc4ccc5cccc6ccc3c4c56)cc2)cc1.Brc1ccc(Nc2ccc(-c3ccccc3-c3cccc4c3ccc3ccccc34)cc2)cc1
InChIInChI=1S/2C34H22BrN.2C32H22BrN.C28H20BrN/c35-28-13-17-30(18-14-28)36-29-15-9-22(10-16-29)26-5-2-6-27(21-26)31-19-11-25-8-7-23-3-1-4-24-12-20-32(31)34(25)33(23)24;35-26-14-18-28(19-15-26)36-27-16-10-22(11-17-27)29-6-1-2-7-30(29)31-20-12-25-9-8-23-4-3-5-24-13-21-32(31)34(25)33(23)24;33-26-14-18-28(19-15-26)34-27-16-11-22(12-17-27)24-6-3-7-25(21-24)30-9-4-10-31-29-8-2-1-5-23(29)13-20-32(30)31;33-24-15-19-26(20-16-24)34-25-17-12-23(13-18-25)28-8-3-4-9-29(28)31-11-5-10-30-27-7-2-1-6-22(27)14-21-32(30)31;29-22-12-16-24(17-13-22)30-23-14-10-21(11-15-23)26-19-18-25(20-6-2-1-3-7-20)27-8-4-5-9-28(26)27/h2*1-21,36H;2*1-21,34H;1-19,30H
InChIKeySZQKFABHSRQBLT-UHFFFAOYSA-N
MW2500.18 g/mol
LogP49.19
Rot. Bonds20

About N-(4-bromophenyl)-4-(2-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(4-phenylnaphthalen-1-yl)aniline;N-(4-bromophenyl)-4-(2-pyren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-pyren-1-ylphenyl)aniline

N-(4-bromophenyl)-4-(2-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(4-phenylnaphthalen-1-yl)aniline;N-(4-bromophenyl)-4-(2-pyren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-pyren-1-ylphenyl)aniline (PubChem CID 160982054) has the molecular formula C160H108Br5N5 and a molecular weight of 2500.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(2-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(4-phenylnaphthalen-1-yl)aniline;N-(4-bromophenyl)-4-(2-pyren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-pyren-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(2-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(4-phenylnaphthalen-1-yl)aniline;N-(4-bromophenyl)-4-(2-pyren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-pyren-1-ylphenyl)aniline
PubChem CID160982054
Molecular FormulaC160H108Br5N5
Molecular Weight2500.18 g/mol
Exact Mass2493.45
IUPAC NameN-(4-bromophenyl)-4-(2-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(4-phenylnaphthalen-1-yl)aniline;N-(4-bromophenyl)-4-(2-pyren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-pyren-1-ylphenyl)aniline
SMILESBrc1ccc(Nc2ccc(-c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1.Brc1ccc(Nc2ccc(-c3cccc(-c4ccc5ccc6cccc7ccc4c5c67)c3)cc2)cc1.Brc1ccc(Nc2ccc(-c3cccc(-c4cccc5c4ccc4ccccc45)c3)cc2)cc1.Brc1ccc(Nc2ccc(-c3ccccc3-c3ccc4ccc5cccc6ccc3c4c56)cc2)cc1.Brc1ccc(Nc2ccc(-c3ccccc3-c3cccc4c3ccc3ccccc34)cc2)cc1
InChIInChI=1S/2C34H22BrN.2C32H22BrN.C28H20BrN/c35-28-13-17-30(18-14-28)36-29-15-9-22(10-16-29)26-5-2-6-27(21-26)31-19-11-25-8-7-23-3-1-4-24-12-20-32(31)34(25)33(23)24;35-26-14-18-28(19-15-26)36-27-16-10-22(11-17-27)29-6-1-2-7-30(29)31-20-12-25-9-8-23-4-3-5-24-13-21-32(31)34(25)33(23)24;33-26-14-18-28(19-15-26)34-27-16-11-22(12-17-27)24-6-3-7-25(21-24)30-9-4-10-31-29-8-2-1-5-23(29)13-20-32(30)31;33-24-15-19-26(20-16-24)34-25-17-12-23(13-18-25)28-8-3-4-9-29(28)31-11-5-10-30-27-7-2-1-6-22(27)14-21-32(30)31;29-22-12-16-24(17-13-22)30-23-14-10-21(11-15-23)26-19-18-25(20-6-2-1-3-7-20)27-8-4-5-9-28(26)27/h2*1-21,36H;2*1-21,34H;1-19,30H
InChIKeySZQKFABHSRQBLT-UHFFFAOYSA-N
XLogP49.19
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002500.18
LogP ≤ 549.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-bromophenyl)-4-(2-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(4-phenylnaphthalen-1-yl)aniline;N-(4-bromophenyl)-4-(2-pyren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-pyren-1-ylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(2-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(4-phenylnaphthalen-1-yl)aniline;N-(4-bromophenyl)-4-(2-pyren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-pyren-1-ylphenyl)aniline?
The IUPAC name of N-(4-bromophenyl)-4-(2-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(4-phenylnaphthalen-1-yl)aniline;N-(4-bromophenyl)-4-(2-pyren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-pyren-1-ylphenyl)aniline (CID 160982054) is N-(4-bromophenyl)-4-(2-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(4-phenylnaphthalen-1-yl)aniline;N-(4-bromophenyl)-4-(2-pyren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-pyren-1-ylphenyl)aniline.
What is the SMILES notation for N-(4-bromophenyl)-4-(2-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(4-phenylnaphthalen-1-yl)aniline;N-(4-bromophenyl)-4-(2-pyren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-pyren-1-ylphenyl)aniline?
The canonical SMILES for N-(4-bromophenyl)-4-(2-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(4-phenylnaphthalen-1-yl)aniline;N-(4-bromophenyl)-4-(2-pyren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-pyren-1-ylphenyl)aniline is Brc1ccc(Nc2ccc(-c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1.Brc1ccc(Nc2ccc(-c3cccc(-c4ccc5ccc6cccc7ccc4c5c67)c3)cc2)cc1.Brc1ccc(Nc2ccc(-c3cccc(-c4cccc5c4ccc4ccccc45)c3)cc2)cc1.Brc1ccc(Nc2ccc(-c3ccccc3-c3ccc4ccc5cccc6ccc3c4c56)cc2)cc1.Brc1ccc(Nc2ccc(-c3ccccc3-c3cccc4c3ccc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-(2-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(4-phenylnaphthalen-1-yl)aniline;N-(4-bromophenyl)-4-(2-pyren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-pyren-1-ylphenyl)aniline?
The InChIKey is SZQKFABHSRQBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H22BrN.2C32H22BrN.C28H20BrN/c35-28-13-17-30(18-14-28)36-29-15-9-22(10-16-29)26-5-2-6-27(21-26)31-19-11-25-8-7-23-3-1-4-24-12-20-32(31)34(25)33(23)24;35-26-14-18-28(19-15-26)36-27-16-10-22(11-17-27)29-6-1-2-7-30(29)31-20-12-25-9-8-23-4-3-5-24-13-21-32(31)34(25)33(23)24;33-26-14-18-28(19-15-26)34-27-16-11-22(12-17-27)24-6-3-7-25(21-24)30-9-4-10-31-29-8-2-1-5-23(29)13-20-32(30)31;33-24-15-19-26(20-16-24)34-25-17-12-23(13-18-25)28-8-3-4-9-29(28)31-11-5-10-30-27-7-2-1-6-22(27)14-21-32(30)31;29-22-12-16-24(17-13-22)30-23-14-10-21(11-15-23)26-19-18-25(20-6-2-1-3-7-20)27-8-4-5-9-28(26)27/h2*1-21,36H;2*1-21,34H;1-19,30H.
What are the key properties of N-(4-bromophenyl)-4-(2-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(4-phenylnaphthalen-1-yl)aniline;N-(4-bromophenyl)-4-(2-pyren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-pyren-1-ylphenyl)aniline?
N-(4-bromophenyl)-4-(2-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(4-phenylnaphthalen-1-yl)aniline;N-(4-bromophenyl)-4-(2-pyren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-pyren-1-ylphenyl)aniline has a molecular weight of 2500.18 g/mol, XLogP of 49.19, 20 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(2-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(4-phenylnaphthalen-1-yl)aniline;N-(4-bromophenyl)-4-(2-pyren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-pyren-1-ylphenyl)aniline is sourced from PubChem (CID 160982054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).