4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine

C42H29N — CID 88554433

IUPAC4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5ccc(-c6ccncc6)cc5)cc4c3)c3ccccc23)cc1
InChIInChI=1S/C42H29N/c1-28-10-12-33(13-11-28)41-37-6-2-4-8-39(37)42(40-9-5-3-7-38(40)41)35-21-19-31-18-20-34(26-36(31)27-35)30-16-14-29(15-17-30)32-22-24-43-25-23-32/h2-27H,1H3
InChIKeyPKFWWUFDNHISDX-UHFFFAOYSA-N
MW547.70 g/mol
LogP11.52
Rot. Bonds4

About 4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine

4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine (PubChem CID 88554433) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is 4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine.

Molecular Properties

Compound Name4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
PubChem CID88554433
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC Name4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5ccc(-c6ccncc6)cc5)cc4c3)c3ccccc23)cc1
InChIInChI=1S/C42H29N/c1-28-10-12-33(13-11-28)41-37-6-2-4-8-39(37)42(40-9-5-3-7-38(40)41)35-21-19-31-18-20-34(26-36(31)27-35)30-16-14-29(15-17-30)32-22-24-43-25-23-32/h2-27H,1H3
InChIKeyPKFWWUFDNHISDX-UHFFFAOYSA-N
XLogP11.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine
CID 88554710
4-[4-[7-[4-(4-methylphenyl)phenyl]naphthalen-2-yl]phenyl]pyridine
CID 170294286
4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 89001182
9,10-bis(7-methylnaphthalen-2-yl)anthracene
CID 140856010
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]-4-pyridin-4-ylpyridine
CID 88551893
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
CID 168838204
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
5-methyl-2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]pyridine
CID 134531244
2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine?
The IUPAC name of 4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine (CID 88554433) is 4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine.
What is the SMILES notation for 4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine?
The canonical SMILES for 4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine is Cc1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5ccc(-c6ccncc6)cc5)cc4c3)c3ccccc23)cc1.
What is the InChIKey of 4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine?
The InChIKey is PKFWWUFDNHISDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N/c1-28-10-12-33(13-11-28)41-37-6-2-4-8-39(37)42(40-9-5-3-7-38(40)41)35-21-19-31-18-20-34(26-36(31)27-35)30-16-14-29(15-17-30)32-22-24-43-25-23-32/h2-27H,1H3.
What are the key properties of 4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine?
4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine has a molecular weight of 547.70 g/mol, XLogP of 11.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine is sourced from PubChem (CID 88554433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).