7-(7-bromonaphthalen-2-yl)-N-naphthalen-1-yl-N-(4-pyridin-4-ylphenyl)naphthalen-2-amine

C41H27BrN2 — CID 142720517

IUPAC7-(7-bromonaphthalen-2-yl)-N-naphthalen-1-yl-N-(4-pyridin-4-ylphenyl)naphthalen-2-amine
SMILESBrc1ccc2ccc(-c3ccc4ccc(N(c5ccc(-c6ccncc6)cc5)c5cccc6ccccc56)cc4c3)cc2c1
InChIInChI=1S/C41H27BrN2/c42-37-16-12-29-8-10-33(24-35(29)26-37)34-11-9-30-15-19-39(27-36(30)25-34)44(41-7-3-5-32-4-1-2-6-40(32)41)38-17-13-28(14-18-38)31-20-22-43-23-21-31/h1-27H
InChIKeyCXPSMMSONUCZAH-UHFFFAOYSA-N
MW627.59 g/mol
LogP12.11
Rot. Bonds5

About 7-(7-bromonaphthalen-2-yl)-N-naphthalen-1-yl-N-(4-pyridin-4-ylphenyl)naphthalen-2-amine

7-(7-bromonaphthalen-2-yl)-N-naphthalen-1-yl-N-(4-pyridin-4-ylphenyl)naphthalen-2-amine (PubChem CID 142720517) has the molecular formula C41H27BrN2 and a molecular weight of 627.59 g/mol. Its IUPAC name is 7-(7-bromonaphthalen-2-yl)-N-naphthalen-1-yl-N-(4-pyridin-4-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name7-(7-bromonaphthalen-2-yl)-N-naphthalen-1-yl-N-(4-pyridin-4-ylphenyl)naphthalen-2-amine
PubChem CID142720517
Molecular FormulaC41H27BrN2
Molecular Weight627.59 g/mol
Exact Mass626.14
IUPAC Name7-(7-bromonaphthalen-2-yl)-N-naphthalen-1-yl-N-(4-pyridin-4-ylphenyl)naphthalen-2-amine
SMILESBrc1ccc2ccc(-c3ccc4ccc(N(c5ccc(-c6ccncc6)cc5)c5cccc6ccccc56)cc4c3)cc2c1
InChIInChI=1S/C41H27BrN2/c42-37-16-12-29-8-10-33(24-35(29)26-37)34-11-9-30-15-19-39(27-36(30)25-34)44(41-7-3-5-32-4-1-2-6-40(32)41)38-17-13-28(14-18-38)31-20-22-43-23-21-31/h1-27H
InChIKeyCXPSMMSONUCZAH-UHFFFAOYSA-N
XLogP12.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.59
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11558270
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ANNINE-6plus
CID 71308153
7-Bromobenzo[h]quinoline
CID 12548908
10-Bromobenzo[h]quinoline
CID 14971962
2-Naphthalenamine, N,N-dibutyl-6-[2-(4-pyridinyl)ethenyl]-
CID 71327220
1-pyridin-2-yl-N-[1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 12145290
5,6,7,8-Tetraphenylquinoline
CID 15530765
1-Anthracen-1-ylpyridin-1-ium
CID 85929935
Naphthacylpyridinium bromide
CID 88342089
Bromoanthrapyridine
CID 88732930
10-(4-Bromophenyl)benzo[h]quinoline
CID 117994206

Frequently Asked Questions

What is the IUPAC name of 7-(7-bromonaphthalen-2-yl)-N-naphthalen-1-yl-N-(4-pyridin-4-ylphenyl)naphthalen-2-amine?
The IUPAC name of 7-(7-bromonaphthalen-2-yl)-N-naphthalen-1-yl-N-(4-pyridin-4-ylphenyl)naphthalen-2-amine (CID 142720517) is 7-(7-bromonaphthalen-2-yl)-N-naphthalen-1-yl-N-(4-pyridin-4-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for 7-(7-bromonaphthalen-2-yl)-N-naphthalen-1-yl-N-(4-pyridin-4-ylphenyl)naphthalen-2-amine?
The canonical SMILES for 7-(7-bromonaphthalen-2-yl)-N-naphthalen-1-yl-N-(4-pyridin-4-ylphenyl)naphthalen-2-amine is Brc1ccc2ccc(-c3ccc4ccc(N(c5ccc(-c6ccncc6)cc5)c5cccc6ccccc56)cc4c3)cc2c1.
What is the InChIKey of 7-(7-bromonaphthalen-2-yl)-N-naphthalen-1-yl-N-(4-pyridin-4-ylphenyl)naphthalen-2-amine?
The InChIKey is CXPSMMSONUCZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27BrN2/c42-37-16-12-29-8-10-33(24-35(29)26-37)34-11-9-30-15-19-39(27-36(30)25-34)44(41-7-3-5-32-4-1-2-6-40(32)41)38-17-13-28(14-18-38)31-20-22-43-23-21-31/h1-27H.
What are the key properties of 7-(7-bromonaphthalen-2-yl)-N-naphthalen-1-yl-N-(4-pyridin-4-ylphenyl)naphthalen-2-amine?
7-(7-bromonaphthalen-2-yl)-N-naphthalen-1-yl-N-(4-pyridin-4-ylphenyl)naphthalen-2-amine has a molecular weight of 627.59 g/mol, XLogP of 12.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-bromonaphthalen-2-yl)-N-naphthalen-1-yl-N-(4-pyridin-4-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 142720517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).