9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene

C30H19Cl — CID 145157949

IUPAC9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene
SMILESClc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C30H19Cl/c31-22-18-16-21(17-19-22)29-25-11-3-5-13-27(25)30(28-14-6-4-12-26(28)29)24-15-7-9-20-8-1-2-10-23(20)24/h1-19H
InChIKeyRTQJFFCAPZXZAT-UHFFFAOYSA-N
MW414.94 g/mol
LogP9.13
Rot. Bonds2

About 9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene

9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene (PubChem CID 145157949) has the molecular formula C30H19Cl and a molecular weight of 414.94 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene.

Molecular Properties

Compound Name9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene
PubChem CID145157949
Molecular FormulaC30H19Cl
Molecular Weight414.94 g/mol
Exact Mass414.12
IUPAC Name9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene
SMILESClc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C30H19Cl/c31-22-18-16-21(17-19-22)29-25-11-3-5-13-27(25)30(28-14-6-4-12-26(28)29)24-15-7-9-20-8-1-2-10-23(20)24/h1-19H
InChIKeyRTQJFFCAPZXZAT-UHFFFAOYSA-N
XLogP9.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.94
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol
CID 162006914
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 172546641
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
4-(10-naphthalen-1-ylanthracen-9-yl)pyridine
CID 89341882
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
CID 121338692
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
methane;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 142384743
2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline
CID 89281033

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene?
The IUPAC name of 9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene (CID 145157949) is 9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene.
What is the SMILES notation for 9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene?
The canonical SMILES for 9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene is Clc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene?
The InChIKey is RTQJFFCAPZXZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19Cl/c31-22-18-16-21(17-19-22)29-25-11-3-5-13-27(25)30(28-14-6-4-12-26(28)29)24-15-7-9-20-8-1-2-10-23(20)24/h1-19H.
What are the key properties of 9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene?
9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene has a molecular weight of 414.94 g/mol, XLogP of 9.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene is sourced from PubChem (CID 145157949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).