4-(4-bromophenyl)-1,2-diphenylnaphthalene;N-[4-(3,4-diphenylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)pyridin-3-amine;3-[(3-phenylphenyl)methyl]pyridine

C91H66BrN3 — CID 158322257

IUPAC4-(4-bromophenyl)-1,2-diphenylnaphthalene;N-[4-(3,4-diphenylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)pyridin-3-amine;3-[(3-phenylphenyl)methyl]pyridine
SMILESBrc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2cccc(Cc3cccnc3)c2)cc1.c1ccc(-c2cccc(N(c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c5ccccc45)cc3)c3cccnc3)c2)cc1
InChIInChI=1S/C45H32N2.C28H19Br.C18H15N/c1-4-14-33(15-5-1)37-20-12-21-39(30-37)47(40-22-13-29-46-32-40)38-27-25-35(26-28-38)43-31-44(34-16-6-2-7-17-34)45(36-18-8-3-9-19-36)42-24-11-10-23-41(42)43;29-23-17-15-21(16-18-23)26-19-27(20-9-3-1-4-10-20)28(22-11-5-2-6-12-22)25-14-8-7-13-24(25)26;1-2-8-17(9-3-1)18-10-4-6-15(13-18)12-16-7-5-11-19-14-16/h1-32H;1-19H;1-11,13-14H,12H2
InChIKeyGOZLPEOIUAXUBF-UHFFFAOYSA-N
MW1281.45 g/mol
LogP25.32
Rot. Bonds13

About 4-(4-bromophenyl)-1,2-diphenylnaphthalene;N-[4-(3,4-diphenylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)pyridin-3-amine;3-[(3-phenylphenyl)methyl]pyridine

4-(4-bromophenyl)-1,2-diphenylnaphthalene;N-[4-(3,4-diphenylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)pyridin-3-amine;3-[(3-phenylphenyl)methyl]pyridine (PubChem CID 158322257) has the molecular formula C91H66BrN3 and a molecular weight of 1281.45 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1,2-diphenylnaphthalene;N-[4-(3,4-diphenylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)pyridin-3-amine;3-[(3-phenylphenyl)methyl]pyridine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1,2-diphenylnaphthalene;N-[4-(3,4-diphenylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)pyridin-3-amine;3-[(3-phenylphenyl)methyl]pyridine
PubChem CID158322257
Molecular FormulaC91H66BrN3
Molecular Weight1281.45 g/mol
Exact Mass1279.44
IUPAC Name4-(4-bromophenyl)-1,2-diphenylnaphthalene;N-[4-(3,4-diphenylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)pyridin-3-amine;3-[(3-phenylphenyl)methyl]pyridine
SMILESBrc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2cccc(Cc3cccnc3)c2)cc1.c1ccc(-c2cccc(N(c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c5ccccc45)cc3)c3cccnc3)c2)cc1
InChIInChI=1S/C45H32N2.C28H19Br.C18H15N/c1-4-14-33(15-5-1)37-20-12-21-39(30-37)47(40-22-13-29-46-32-40)38-27-25-35(26-28-38)43-31-44(34-16-6-2-7-17-34)45(36-18-8-3-9-19-36)42-24-11-10-23-41(42)43;29-23-17-15-21(16-18-23)26-19-27(20-9-3-1-4-10-20)28(22-11-5-2-6-12-22)25-14-8-7-13-24(25)26;1-2-8-17(9-3-1)18-10-4-6-15(13-18)12-16-7-5-11-19-14-16/h1-32H;1-19H;1-11,13-14H,12H2
InChIKeyGOZLPEOIUAXUBF-UHFFFAOYSA-N
XLogP25.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001281.45
LogP ≤ 525.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromophenyl)-1,2-diphenylnaphthalene;N-[4-(3,4-diphenylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)pyridin-3-amine;3-[(3-phenylphenyl)methyl]pyridine with MolForge

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Related Compounds

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12-(4-Bromophenyl)-4,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,12,15(20),16,18-nonaene
CID 15265608
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Bromoanthrapyridine
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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1,2-diphenylnaphthalene;N-[4-(3,4-diphenylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)pyridin-3-amine;3-[(3-phenylphenyl)methyl]pyridine?
The IUPAC name of 4-(4-bromophenyl)-1,2-diphenylnaphthalene;N-[4-(3,4-diphenylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)pyridin-3-amine;3-[(3-phenylphenyl)methyl]pyridine (CID 158322257) is 4-(4-bromophenyl)-1,2-diphenylnaphthalene;N-[4-(3,4-diphenylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)pyridin-3-amine;3-[(3-phenylphenyl)methyl]pyridine.
What is the SMILES notation for 4-(4-bromophenyl)-1,2-diphenylnaphthalene;N-[4-(3,4-diphenylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)pyridin-3-amine;3-[(3-phenylphenyl)methyl]pyridine?
The canonical SMILES for 4-(4-bromophenyl)-1,2-diphenylnaphthalene;N-[4-(3,4-diphenylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)pyridin-3-amine;3-[(3-phenylphenyl)methyl]pyridine is Brc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2cccc(Cc3cccnc3)c2)cc1.c1ccc(-c2cccc(N(c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c5ccccc45)cc3)c3cccnc3)c2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-1,2-diphenylnaphthalene;N-[4-(3,4-diphenylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)pyridin-3-amine;3-[(3-phenylphenyl)methyl]pyridine?
The InChIKey is GOZLPEOIUAXUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2.C28H19Br.C18H15N/c1-4-14-33(15-5-1)37-20-12-21-39(30-37)47(40-22-13-29-46-32-40)38-27-25-35(26-28-38)43-31-44(34-16-6-2-7-17-34)45(36-18-8-3-9-19-36)42-24-11-10-23-41(42)43;29-23-17-15-21(16-18-23)26-19-27(20-9-3-1-4-10-20)28(22-11-5-2-6-12-22)25-14-8-7-13-24(25)26;1-2-8-17(9-3-1)18-10-4-6-15(13-18)12-16-7-5-11-19-14-16/h1-32H;1-19H;1-11,13-14H,12H2.
What are the key properties of 4-(4-bromophenyl)-1,2-diphenylnaphthalene;N-[4-(3,4-diphenylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)pyridin-3-amine;3-[(3-phenylphenyl)methyl]pyridine?
4-(4-bromophenyl)-1,2-diphenylnaphthalene;N-[4-(3,4-diphenylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)pyridin-3-amine;3-[(3-phenylphenyl)methyl]pyridine has a molecular weight of 1281.45 g/mol, XLogP of 25.32, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1,2-diphenylnaphthalene;N-[4-(3,4-diphenylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)pyridin-3-amine;3-[(3-phenylphenyl)methyl]pyridine is sourced from PubChem (CID 158322257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).